Geometry & MOs

Info

ID:

163099

PubChem CID:

57640984

Reduced:

SiO7C25H46 (1)

Stoich.:

AB7C25D46 (1)

Weight, g/mol:

482.094617

ΔHf, kcal/mol:

-377.48

Dipole, Da:

2.74

IP(EA), eV:

 -9.0(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylsulfonylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CCC(=O)C[C@@H]([C@H](CO)C(=O)[C@H](CO)[C@@H]([C@]1([C@H](O1)[C@@H](C)/C=C\C)C)O[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations