Geometry & MOs

Info

ID:

300921

PubChem CID:

123055406

Reduced:

Cl2N2O4H28C29 (1)

Stoich.:

A2B2C4D28E29 (1)

Weight, g/mol:

509.116064

ΔHf, kcal/mol:

-92.43

Dipole, Da:

3.79

IP(EA), eV:

 -7.84(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3,4-dichlorophenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)N2C(/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C2=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations