Geometry & MOs

Info

ID:	83169
PubChem CID:	49857238
Reduced:	BrClN2O3H14C22 (1)
Stoich.:	ABC2D3E14F22 (1)
Weight, g/mol:	384.147393
ΔH_f, kcal/mol:	-15.88
Dipole, Da:	5.04
IP(EA), eV:	-9.52(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-4-ylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)Cl)/O)/C(=O)C(=O)N2C4=NC=CC(=C4)Br

DOS

IR

Vibrations