Geometry & MOs

Info

ID:

300734

PubChem CID:

123051087

Reduced:

ClFN2O7H16C24 (1)

Stoich.:

ABC2D7E16F24 (1)

Weight, g/mol:

470.072571

ΔHf, kcal/mol:

-162.73

Dipole, Da:

8.91

IP(EA), eV:

 -8.72(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=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-])Cl

DOS

IR

Vibrations