Geometry & MOs

Info

ID:

300731

PubChem CID:

123051084

Reduced:

FN2O8H15C24 (1)

Stoich.:

AB2C8D15E24 (1)

Weight, g/mol:

494.112544

ΔHf, kcal/mol:

-176.72

Dipole, Da:

7.12

IP(EA), eV:

 -8.73(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)N3C(/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