Geometry & MOs

Info

ID:

300602

PubChem CID:

123044918

Reduced:

NO6C33H35 (1)

Stoich.:

AB6C33D35 (1)

Weight, g/mol:

529.246438

ΔHf, kcal/mol:

-187.85

Dipole, Da:

6.16

IP(EA), eV:

 -8.99(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(3,4-diethoxyphenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OCC(C)C)\O)/C(=O)C(=O)N2C4=CC=CC(=C4)C(=O)OC(C)C

DOS

IR

Vibrations