Geometry & MOs

Info

ID:

300726

PubChem CID:

123051077

Reduced:

FN3O6H24C28 (1)

Stoich.:

AB3C6D24E28 (1)

Weight, g/mol:

477.133614

ΔHf, kcal/mol:

-127.72

Dipole, Da:

7.37

IP(EA), eV:

 -7.97(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=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