Geometry & MOs

Info

ID:	437791
PubChem CID:	135227076
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	367.171834
ΔH_f, kcal/mol:	46.56
Dipole, Da:	2.79
IP(EA), eV:	-8.16(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SC4CC4)NCC5CC5

DOS

IR

Vibrations