Geometry & MOs

Info

ID:	300974
PubChem CID:	123058781
Reduced:	NO6C32H35 (1)
Stoich.:	AB6C32D35 (1)
Weight, g/mol:	501.215138
ΔH_f, kcal/mol:	-171.83
Dipole, Da:	6.64
IP(EA), eV:	-8.42(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(4-ethoxy-3-methoxyphenyl)-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)OC

DOS

IR

Vibrations