Geometry & MOs

Info

ID:

300929

PubChem CID:

123055418

Reduced:

NCl4O4H17C25 (1)

Stoich.:

AB4C4D17E25 (1)

Weight, g/mol:

495.100414

ΔHf, kcal/mol:

-100.24

Dipole, Da:

8.76

IP(EA), eV:

 -9.25(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3,4-dichlorophenyl)-1-(3,5-dimethylphenyl)-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(=CC(=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations