Geometry & MOs

Info

ID:	437675
PubChem CID:	135226840
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	429.095869
ΔH_f, kcal/mol:	-20.91
Dipole, Da:	2.53
IP(EA), eV:	-8.65(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC2CCC3(CC2)CC3

DOS

IR

Vibrations