Geometry & MOs

Info

ID:

301198

PubChem CID:

123069129

Reduced:

NO6C31H33 (1)

Stoich.:

AB6C31D33 (1)

Weight, g/mol:

545.241352

ΔHf, kcal/mol:

-163.47

Dipole, Da:

9.38

IP(EA), eV:

 -8.21(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C(=O)N2C4=CC=CC=C4)OCC

DOS

IR

Vibrations