Geometry & MOs

Info

ID:

301099

PubChem CID:

123059846

Reduced:

NCl2O6H25C28 (1)

Stoich.:

AB2C6D25E28 (1)

Weight, g/mol:

507.144865

ΔHf, kcal/mol:

-176.09

Dipole, Da:

4.67

IP(EA), eV:

 -9.12(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-(4-methylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C(/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC(=C(C(=C4)Cl)O)OC

DOS

IR

Vibrations