Geometry & MOs

Info

ID:	51958
PubChem CID:	12014729
Reduced:	SCl2O2N3H17C27 (1)
Stoich.:	AB2C2D3E17F27 (1)
Weight, g/mol:	469.04259
ΔH_f, kcal/mol:	39.39
Dipole, Da:	1.99
IP(EA), eV:	-8.74(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromoanilino)-1-phenyl-4-quinolin-2-ylpyrrole-2,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)NC3=CC=C(C=C3)Cl)C4=NC(=CC=C4)SC5=CC=C(C=C5)Cl

DOS

IR

Vibrations