Geometry & MOs

Info

ID:

300738

PubChem CID:

123051096

Reduced:

FN2O8H19C26 (1)

Stoich.:

AB2C8D19E26 (1)

Weight, g/mol:

492.096894

ΔHf, kcal/mol:

-213.23

Dipole, Da:

9.02

IP(EA), eV:

 -9.48(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=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-]

DOS

IR

Vibrations