Geometry & MOs

Info

ID:

301185

PubChem CID:

123069010

Reduced:

N2O7C31H32 (1)

Stoich.:

A2B7C31D32 (1)

Weight, g/mol:

545.241352

ΔHf, kcal/mol:

-206.52

Dipole, Da:

13.31

IP(EA), eV:

 -8.08(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3,4-diethoxyphenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-1-(4-propan-2-yloxyphenyl)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=C(C=C4)NC(=O)C)OCC

DOS

IR

Vibrations