Geometry & MOs

Info

ID:	437678
PubChem CID:	135226843
Reduced:	OSF2N3H19C23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	452.224597
ΔH_f, kcal/mol:	-31.31
Dipole, Da:	0.92
IP(EA), eV:	-8.14(-0.57)
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

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SC4CC4)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations