Geometry & MOs

Info

ID:

300615

PubChem CID:

123045259

Reduced:

N2O9H24C28 (1)

Stoich.:

A2B9C24D28 (1)

Weight, g/mol:

533.12017

ΔHf, kcal/mol:

-198.02

Dipole, Da:

4.28

IP(EA), eV:

 -8.45(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(4-bromophenyl)-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=CC4=C(C=C3)OCCO4)C5=CC(=C(C=C5)O)[N+](=O)[O-])/O

DOS

IR

Vibrations