Geometry & MOs

Info

ID:

300923

PubChem CID:

123055410

Reduced:

NCl2O6H21C27 (1)

Stoich.:

AB2C6D21E27 (1)

Weight, g/mol:

511.058943

ΔHf, kcal/mol:

-153.06

Dipole, Da:

5.75

IP(EA), eV:

 -8.32(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-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=CC4=C(C=C3)OCCO4)C5=CC(=C(C=C5)Cl)Cl)/O

DOS

IR

Vibrations