Geometry & MOs

Info

ID:	300757
PubChem CID:	123051131
Reduced:	FN2O3H29C30 (1)
Stoich.:	AB2C3D29E30 (1)
Weight, g/mol:	498.231871
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	7.4
IP(EA), eV:	-8.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-ethylphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C(=O)N2C4=CC=C(C=C4)N5CCCCC5

DOS

IR

Vibrations