Geometry & MOs

Info

ID:

300926

PubChem CID:

123055413

Reduced:

NCl2O5H27C29 (1)

Stoich.:

AB2C5D27E29 (1)

Weight, g/mol:

503.05027

ΔHf, kcal/mol:

-137.09

Dipole, Da:

5.83

IP(EA), eV:

 -8.21(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]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)OCC(C)C)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations