Geometry & MOs

Info

ID:

300724

PubChem CID:

123051067

Reduced:

FNO6H24C28 (1)

Stoich.:

ABC6D24E28 (1)

Weight, g/mol:

518.073713

ΔHf, kcal/mol:

-211.72

Dipole, Da:

7.17

IP(EA), eV:

 -9.3(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C2=O)C4=CC(=CC=C4)O

DOS

IR

Vibrations