Geometry & MOs

Info

ID:	437701
PubChem CID:	135226866
Reduced:	BrFNOSC8H9 (1)
Stoich.:	ABCDEF8G9 (1)
Weight, g/mol:	457.127169
ΔH_f, kcal/mol:	-37.36
Dipole, Da:	2.76
IP(EA), eV:	-9.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=N)(=O)C1=CC(=C(C=C1)F)Br

DOS

IR

Vibrations