Geometry & MOs

Info

ID:

301067

PubChem CID:

123059719

Reduced:

NO6C32H35 (1)

Stoich.:

AB6C32D35 (1)

Weight, g/mol:

529.246438

ΔHf, kcal/mol:

-183.78

Dipole, Da:

4.92

IP(EA), eV:

 -8.46(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3,4-diethoxyphenyl)-1-(2,3-dimethylphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OC(C)C)/O)/C(=O)C(=O)N2C4=C(C=CC(=C4)C)C)OCC

DOS

IR

Vibrations