Geometry & MOs

Info

ID:

300746

PubChem CID:

123051115

Reduced:

FN2O6H17C27 (1)

Stoich.:

AB2C6D17E27 (1)

Weight, g/mol:

464.101979

ΔHf, kcal/mol:

-97.22

Dipole, Da:

3.25

IP(EA), eV:

 -9.12(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C(/C(=C(/C4=CC=C(C=C4)F)\O)/C(=O)C3=O)C5=CC(=C(C=C5)O)[N+](=O)[O-]

DOS

IR

Vibrations