Geometry & MOs

Info

ID:

301193

PubChem CID:

123069076

Reduced:

NO6C33H37 (1)

Stoich.:

AB6C33D37 (1)

Weight, g/mol:

529.246438

ΔHf, kcal/mol:

-180.07

Dipole, Da:

6.54

IP(EA), eV:

 -8.52(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCOC1=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)OC

DOS

IR

Vibrations