Geometry & MOs

Info

ID:

301195

PubChem CID:

123069107

Reduced:

NO6C32H35 (1)

Stoich.:

AB6C32D35 (1)

Weight, g/mol:

531.225702

ΔHf, kcal/mol:

-172.99

Dipole, Da:

5.27

IP(EA), eV:

 -8.48(-0.65)

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-hydroxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C(=O)N2C4=CC=CC(=C4C)C)OCC

DOS

IR

Vibrations