Geometry & MOs

Info

ID:	437857
PubChem CID:	135227196
Reduced:	SF2O2N3C24H25 (1)
Stoich.:	AB2C2D3E24F25 (1)
Weight, g/mol:	472.174454
ΔH_f, kcal/mol:	-136.99
Dipole, Da:	2.03
IP(EA), eV:	-8.52(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4,4-difluorocyclohexyl)oxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]sulfinimidoyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)SC1=CC(=C(C=C1)OC2CCC(CC2)(F)F)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations