Geometry & MOs

Info

ID:

301095

PubChem CID:

123059835

Reduced:

ClN2O6C29H29 (1)

Stoich.:

AB2C6D29E29 (1)

Weight, g/mol:

535.176165

ΔHf, kcal/mol:

-158.93

Dipole, Da:

5.58

IP(EA), eV:

 -7.84(-1.06)

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-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)N(C)C)C4=CC(=C(C(=C4)Cl)O)OC)/O

DOS

IR

Vibrations