Geometry & MOs

Info

ID:

300732

PubChem CID:

123051085

Reduced:

FN2O8H19C25 (1)

Stoich.:

AB2C8D19E25 (1)

Weight, g/mol:

506.148929

ΔHf, kcal/mol:

-196.61

Dipole, Da:

4.63

IP(EA), eV:

 -8.3(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-nitrophenyl)-1-[4-(2-methylpropoxy)phenyl]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-])OC

DOS

IR

Vibrations