Geometry & MOs

Info

ID:	437834
PubChem CID:	135227120
Reduced:	BrNOSC14H16 (1)
Stoich.:	ABCDE14F16 (1)
Weight, g/mol:	473.087927
ΔH_f, kcal/mol:	15.0
Dipole, Da:	1.35
IP(EA), eV:	-9.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-fluoro-5-(methylsulfonimidoyl)phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC(C)(C#N)SC1=CC(=C(C=C1)OCC2CC2)Br

DOS

IR

Vibrations