Geometry & MOs

Info

ID:	301081
PubChem CID:	123059775
Reduced:	NO6C33H37 (1)
Stoich.:	AB6C33D37 (1)
Weight, g/mol:	515.230788
ΔH_f, kcal/mol:	-179.1
Dipole, Da:	8.86
IP(EA), eV:	-8.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(3-ethoxy-4-propoxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-phenylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=CC=CC(=C4C)C)OCC

DOS

IR

Vibrations