Geometry & MOs

Info

ID:

300725

PubChem CID:

123051072

Reduced:

N2F4O7H14C24 (1)

Stoich.:

A2B4C7D14E24 (1)

Weight, g/mol:

517.164914

ΔHf, kcal/mol:

-321.96

Dipole, Da:

5.9

IP(EA), eV:

 -9.55(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)N2C(/C(=C(\C3=CC=C(C=C3)F)/O)/C(=O)C2=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

DOS

IR

Vibrations