Geometry & MOs

Info

ID:

300730

PubChem CID:

123051083

Reduced:

FN2O8H17C25 (1)

Stoich.:

AB2C8D17E25 (1)

Weight, g/mol:

478.081244

ΔHf, kcal/mol:

-184.56

Dipole, Da:

7.58

IP(EA), eV:

 -8.61(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-nitrophenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=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