Geometry & MOs

Info

ID:

300749

PubChem CID:

123051119

Reduced:

ClFN2O6H16C24 (1)

Stoich.:

ABC2D6E16F24 (1)

Weight, g/mol:

484.047357

ΔHf, kcal/mol:

-137.95

Dipole, Da:

4.25

IP(EA), eV:

 -9.41(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)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