Geometry & MOs

Info

ID:

300946

PubChem CID:

123055444

Reduced:

NCl2O5H21C26 (1)

Stoich.:

AB2C5D21E26 (1)

Weight, g/mol:

515.045791

ΔHf, kcal/mol:

-118.74

Dipole, Da:

7.47

IP(EA), eV:

 -8.5(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(4-chloro-2-methylphenyl)-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=CC=CC=C3OC)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations