Geometry & MOs

Info

ID:	300759
PubChem CID:	123051136
Reduced:	FNO4H26C32 (1)
Stoich.:	ABC4D26E32 (1)
Weight, g/mol:	465.114314
ΔH_f, kcal/mol:	-88.91
Dipole, Da:	7.32
IP(EA), eV:	-8.5(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(3-chloro-4-methoxyphenyl)-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)OCC5=CC=CC=C5

DOS

IR

Vibrations