Geometry & MOs

Info

ID:

300937

PubChem CID:

123055428

Reduced:

NCl3O4H20C26 (1)

Stoich.:

AB3C4D20E26 (1)

Weight, g/mol:

535.056498

ΔHf, kcal/mol:

-96.15

Dipole, Da:

7.62

IP(EA), eV:

 -9.21(-0.97)

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-[3-(trifluoromethyl)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=C(C(=CC=C3)Cl)C)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations