Geometry & MOs

Info

ID:	437797
PubChem CID:	135227082
Reduced:	OSN3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	443.111519
ΔH_f, kcal/mol:	11.98
Dipole, Da:	1.93
IP(EA), eV:	-8.07(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)SC1=CC(=C(C=C1)NCC2CC2)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations