Geometry & MOs

Info

ID:

300735

PubChem CID:

123051088

Reduced:

N2F3O6H13C23 (1)

Stoich.:

A2B3C6D13E23 (1)

Weight, g/mol:

486.04302

ΔHf, kcal/mol:

-204.47

Dipole, Da:

6.48

IP(EA), eV:

 -9.33(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-(3-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-nitrophenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C(=C/2\C(N(C(=O)C2=O)C3=CC(=C(C=C3)F)F)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O)F

DOS

IR

Vibrations