Geometry & MOs

Info

ID:

300739

PubChem CID:

123051098

Reduced:

FN2O8H17C25 (1)

Stoich.:

AB2C8D17E25 (1)

Weight, g/mol:

506.112544

ΔHf, kcal/mol:

-202.45

Dipole, Da:

7.8

IP(EA), eV:

 -9.37(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[(3Z)-3-[(4-fluorophenyl)-hydroxymethylidene]-2-(4-hydroxy-3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

COC(=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