Geometry & MOs

Info

ID:	300989
PubChem CID:	123058897
Reduced:	NO8H29C30 (1)
Stoich.:	AB8C29D30 (1)
Weight, g/mol:	505.190066
ΔH_f, kcal/mol:	-211.92
Dipole, Da:	7.96
IP(EA), eV:	-8.45(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-(3-fluorophenyl)-5-(4-methoxy-3-propoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC(=CC=C3)OCC)\O)/C(=O)C(=O)N2C4=CC5=C(C=C4)OCO5)OC

DOS

IR

Vibrations