Geometry & MOs

Info

ID:

301183

PubChem CID:

123068981

Reduced:

NO8C31H33 (1)

Stoich.:

AB8C31D33 (1)

Weight, g/mol:

543.262088

ΔHf, kcal/mol:

-236.48

Dipole, Da:

6.29

IP(EA), eV:

 -8.54(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations