Geometry & MOs

Info

ID:

300922

PubChem CID:

123055408

Reduced:

NCl2O4H25C28 (1)

Stoich.:

AB2C4D25E28 (1)

Weight, g/mol:

525.074593

ΔHf, kcal/mol:

-99.07

Dipole, Da:

6.2

IP(EA), eV:

 -8.56(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3,4-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)C(C)C)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations