Geometry & MOs

Info

ID:	300961
PubChem CID:	123058748
Reduced:	NO6C32H35 (1)
Stoich.:	AB6C32D35 (1)
Weight, g/mol:	519.181251
ΔH_f, kcal/mol:	-174.39
Dipole, Da:	5.54
IP(EA), eV:	-8.85(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-butoxyphenyl)-1-(4-chloro-2-methylphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OCC)/O)/C(=O)C(=O)N2C4=CC=CC=C4OCCC

DOS

IR

Vibrations