Geometry & MOs

Info

ID:

300944

PubChem CID:

123055440

Reduced:

Cl2N2O5H22C27 (1)

Stoich.:

A2B2C5D22E27 (1)

Weight, g/mol:

525.110978

ΔHf, kcal/mol:

-130.84

Dipole, Da:

7.07

IP(EA), eV:

 -8.32(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations