Geometry & MOs

Info

ID:	300982
PubChem CID:	123058830
Reduced:	NO6C32H35 (1)
Stoich.:	AB6C32D35 (1)
Weight, g/mol:	517.210052
ΔH_f, kcal/mol:	-173.5
Dipole, Da:	9.01
IP(EA), eV:	-8.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=C(C=CC(=C3)C)C)C4=CC(=C(C=C4)OC(C)C)OCC)/O

DOS

IR

Vibrations