Geometry & MOs

Info

ID:

300687

PubChem CID:

123050831

Reduced:

NO5C31H33 (1)

Stoich.:

AB5C31D33 (1)

Weight, g/mol:

505.165601

ΔHf, kcal/mol:

-132.05

Dipole, Da:

10.43

IP(EA), eV:

 -8.44(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-[4-methoxy-3-(2-methylpropoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=C(C=CC(=C3)C)C)C4=CC(=C(C=C4)OC)OCC(C)C)/O

DOS

IR

Vibrations