Geometry & MOs

Info

ID:	300644
PubChem CID:	123050495
Reduced:	N2O7H20C25 (1)
Stoich.:	A2B7C20D25 (1)
Weight, g/mol:	475.07831
ΔH_f, kcal/mol:	-129.18
Dipole, Da:	7.64
IP(EA), eV:	-8.78(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(3-bromophenyl)-5-(4-ethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=C(C=CC(=C3)C)O)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations