Geometry & MOs

Info

ID:	300985
PubChem CID:	123058859
Reduced:	NO6C33H37 (1)
Stoich.:	AB6C33D37 (1)
Weight, g/mol:	515.230788
ΔH_f, kcal/mol:	-179.16
Dipole, Da:	6.96
IP(EA), eV:	-8.52(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(3,4-diethoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-(4-ethylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C(/C(=C(\C3=CC(=CC=C3)OCC)/O)/C(=O)C2=O)C4=CC(=C(C=C4)OCC)OCC

DOS

IR

Vibrations