Geometry & MOs

Info

ID:	83168
PubChem CID:	49857237
Reduced:	N2Br3O3H13C22 (1)
Stoich.:	A2B3C3D13E22 (1)
Weight, g/mol:	467.98763
ΔH_f, kcal/mol:	-1.86
Dipole, Da:	4.23
IP(EA), eV:	-9.64(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-1-(4-bromopyridin-2-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2/C(=C(\C3=CC=C(C=C3)Br)/O)/C(=O)C(=O)N2C4=NC=CC(=C4)Br)Br

DOS

IR

Vibrations