Geometry & MOs

Info

ID:

437850

PubChem CID:

135227189

Reduced:

PS2O7C28H39 (2)

Stoich.:

AB2C7D28E39 (2)

Weight, g/mol:

468.106768

ΔHf, kcal/mol:

-665.53

Dipole, Da:

3.87

IP(EA), eV:

 -8.53(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methyl-methyl-oxo-lambda6-sulfanylidene]cyanamide

Drug info:

PubChemData

Smile

CCOP(=O)(C1(C2CC(S1)(C=C2)CCCCCCCCCCC34CC(C=C3)C(S4)(P(=O)(OCC)OCC)SCC5=CC=C(C=C5)C(=O)OCCOC(=O)C(=C)C)SCC6=CC=C(C=C6)C(=O)OCCOC(=O)C)OCC

DOS

IR

Vibrations