Geometry & MOs

Info

ID:

300925

PubChem CID:

123055412

Reduced:

NCl2O6H23C27 (1)

Stoich.:

AB2C6D23E27 (1)

Weight, g/mol:

539.126628

ΔHf, kcal/mol:

-154.86

Dipole, Da:

6.73

IP(EA), eV:

 -8.0(-0.93)

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-[4-(2-methylpropoxy)phenyl]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)OC)OC)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations