Geometry & MOs

Info

ID:	437866
PubChem CID:	135227205
Reduced:	OSN3C24H31 (1)
Stoich.:	ABC3D24E31 (1)
Weight, g/mol:	440.224597
ΔH_f, kcal/mol:	-24.51
Dipole, Da:	3.9
IP(EA), eV:	-8.1(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)SC1=CC(=C(C=C1)NC2CCCCCC2)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations