Geometry & MOs

Info

ID:

301194

PubChem CID:

123069099

Reduced:

NO6C32H35 (1)

Stoich.:

AB6C32D35 (1)

Weight, g/mol:

529.246438

ΔHf, kcal/mol:

-178.05

Dipole, Da:

5.9

IP(EA), eV:

 -8.49(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(2,3-dimethylphenyl)-5-(3-ethoxy-4-propoxyphenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C(=O)N2C4=CC(=CC(=C4)C)C)OCC

DOS

IR

Vibrations