Geometry & MOs

Info

ID:	437855
PubChem CID:	135227194
Reduced:	IPH5C6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	488.169368
ΔH_f, kcal/mol:	80.65
Dipole, Da:	2.05
IP(EA), eV:	-8.84(-1.39)
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]sulfonimidoyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C(=C(C=C2)P)I)I)P

DOS

IR

Vibrations