Geometry & MOs

Info

ID:

301192

PubChem CID:

123069073

Reduced:

NO7C32H35 (1)

Stoich.:

AB7C32D35 (1)

Weight, g/mol:

543.262088

ΔHf, kcal/mol:

-201.34

Dipole, Da:

7.77

IP(EA), eV:

 -8.51(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCOC1=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

DOS

IR

Vibrations