Geometry & MOs

Info

ID:	300760
PubChem CID:	123051138
Reduced:	ClFNO4H21C26 (1)
Stoich.:	ABCD4E21F26 (1)
Weight, g/mol:	469.064777
ΔH_f, kcal/mol:	-123.38
Dipole, Da:	9.58
IP(EA), eV:	-8.53(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(3,4-dichlorophenyl)-5-(4-ethylphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]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)OC)Cl

DOS

IR

Vibrations