Geometry & MOs

Info

ID:

300748

PubChem CID:

123051118

Reduced:

ClFN2O6H16C24 (1)

Stoich.:

ABC2D6E16F24 (1)

Weight, g/mol:

482.068092

ΔHf, kcal/mol:

-135.66

Dipole, Da:

7.93

IP(EA), eV:

 -9.1(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=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