Geometry & MOs

Info

ID:

300742

PubChem CID:

123051101

Reduced:

FN2O8H21C27 (1)

Stoich.:

AB2C8D21E27 (1)

Weight, g/mol:

512.00193

ΔHf, kcal/mol:

-215.96

Dipole, Da:

2.62

IP(EA), eV:

 -9.43(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC(=CC=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