Geometry & MOs

Info

ID:	51956
PubChem CID:	12014727
Reduced:	SCl2O2N3H19C27 (1)
Stoich.:	AB2C2D3E19F27 (1)
Weight, g/mol:	497.096476
ΔH_f, kcal/mol:	41.36
Dipole, Da:	3.2
IP(EA), eV:	-8.92(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloroanilino)-4-[6-(4-methylphenyl)sulfanylpyridin-2-yl]-1-phenylpyrrole-2,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H]4C=CC=C(N4N([C@@H]3C2=O)C5=CC=C(C=C5)Cl)SC6=CC=C(C=C6)Cl

DOS

IR

Vibrations