Geometry & MOs

Info

ID:

301182

PubChem CID:

123068954

Reduced:

NO3C16H18 (2)

Stoich.:

AB3C16D18 (2)

Weight, g/mol:

547.220617

ΔHf, kcal/mol:

-161.1

Dipole, Da:

4.51

IP(EA), eV:

 -7.8(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3,4-diethoxyphenyl)-1-(3,5-dimethoxyphenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations