Geometry & MOs

Info

ID:	437680
PubChem CID:	135226845
Reduced:	OSN3C25H31 (1)
Stoich.:	ABC3D25E31 (1)
Weight, g/mol:	452.224597
ΔH_f, kcal/mol:	-3.95
Dipole, Da:	1.63
IP(EA), eV:	-8.01(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)SC3CC3)C4=CN(C(=O)C5=C4C=C(N5)C)C

DOS

IR

Vibrations