Geometry & MOs

Info

ID:

300737

PubChem CID:

123051091

Reduced:

FCl2N2O6H13C23 (1)

Stoich.:

AB2C2D6E13F23 (1)

Weight, g/mol:

506.112544

ΔHf, kcal/mol:

-132.98

Dipole, Da:

5.45

IP(EA), eV:

 -9.49(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C(=C/2\C(N(C(=O)C2=O)C3=CC(=CC(=C3)Cl)Cl)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O)F

DOS

IR

Vibrations