Geometry & MOs

Info

ID:

300729

PubChem CID:

123051082

Reduced:

FN2O6H23C27 (1)

Stoich.:

AB2C6D23E27 (1)

Weight, g/mol:

492.096894

ΔHf, kcal/mol:

-142.91

Dipole, Da:

6.83

IP(EA), eV:

 -9.1(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-nitrophenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)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