Geometry & MOs

Info

ID:	437861
PubChem CID:	135227200
Reduced:	SO2N4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	440.224597
ΔH_f, kcal/mol:	-32.22
Dipole, Da:	6.84
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-[2-[(4-methylcyclohexyl)amino]-5-(propan-2-ylsulfonimidoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CCS(=N)(=O)C1=CC(=C(C=C1)NC2CCCCCCC2)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations