SynCED: Showing structure for CHEM004024: Dimethyldichlorosilane

6398
  -OEChem-10091907233D

11 10  0     0  0  0  0  0  0999 V2000
   -1.6261   -1.1532    0.0004 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6266   -1.1525    0.0027 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.0936   -0.0001 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    1.1038   -1.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0014    1.1083    1.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    0.4725   -2.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8817    1.7490   -1.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8834    1.7494   -1.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    1.7535    1.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0019    0.4794    2.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    1.7540    1.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6398

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 -0.37
2 -0.37
3 0.9
4 -0.08
5 -0.08

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
000018FE00000001

> <PUBCHEM_MMFF94_ENERGY>
-0.1962

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
137420 1 9187320991926635877
29004967 10 11389692956349075569
5943 1 12492083582107405349

> <PUBCHEM_SHAPE_MULTIPOLES>
124.85
1.68
1.61
1.51
0
0.06
0
1.08
0
0
0
0
-0.88
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
188.326

> <PUBCHEM_SHAPE_VOLUME>
92.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$

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MOL SDF 3D SDF PDB SMILES InChI

Showing structure for CHEM004024: Dimethyldichlorosilane

Structure for CHEM004024: Dimethyldichlorosilane