Geometry & MOs

Info

ID:	437759
PubChem CID:	135226988
Reduced:	SF2O2N3H21C24 (1)
Stoich.:	AB2C2D3E21F24 (1)
Weight, g/mol:	443.111519
ΔH_f, kcal/mol:	-23.02
Dipole, Da:	5.02
IP(EA), eV:	-8.13(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,4-difluorophenoxy)-5-(ethylsulfonimidoyl)phenyl]-6-methyl-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)S(=N)CC4CC4)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations