Geometry & MOs

Info

ID:

300728

PubChem CID:

123051081

Reduced:

FN2O6H21C26 (1)

Stoich.:

AB2C6D21E26 (1)

Weight, g/mol:

490.154015

ΔHf, kcal/mol:

-138.63

Dipole, Da:

7.39

IP(EA), eV:

 -9.02(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)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