Geometry & MOs

Info

ID:	300983
PubChem CID:	123058845
Reduced:	NO7C30H31 (1)
Stoich.:	AB7C30D31 (1)
Weight, g/mol:	539.151093
ΔH_f, kcal/mol:	-196.86
Dipole, Da:	7.8
IP(EA), eV:	-8.44(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OCC)/O)/C(=O)C(=O)N2C4=CC(=CC=C4)OC)OCC

DOS

IR

Vibrations