Geometry & MOs

Info

ID:

301187

PubChem CID:

123069019

Reduced:

NO7C30H31 (1)

Stoich.:

AB7C30D31 (1)

Weight, g/mol:

515.230788

ΔHf, kcal/mol:

-204.01

Dipole, Da:

7.83

IP(EA), eV:

 -8.39(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3,4-diethoxyphenyl)-1-(2,4-dimethylphenyl)-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=C(C=CC(=C4)C)O)OCC

DOS

IR

Vibrations