Geometry & MOs

Info

ID:	437836
PubChem CID:	135227122
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	413.96991
ΔH_f, kcal/mol:	0.88
Dipole, Da:	2.48
IP(EA), eV:	-8.46(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluoro-5-methylsulfanylphenyl)-1-iodo-6-methylpyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC(C)(C#N)S(=N)(=O)C1=CC(=C(C=C1)OCC2CC2)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations