Geometry & MOs

Info

ID:	51957
PubChem CID:	12014728
Reduced:	ClSO2N3H20C28 (1)
Stoich.:	ABC2D3E20F28 (1)
Weight, g/mol:	517.041853
ΔH_f, kcal/mol:	42.85
Dipole, Da:	4.26
IP(EA), eV:	-8.52(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC=CC(=N2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations