Geometry & MOs

Info

ID:

300789

PubChem CID:

123055009

Reduced:

Cl2N2O7H20C26 (1)

Stoich.:

A2B2C7D20E26 (1)

Weight, g/mol:

542.064756

ΔHf, kcal/mol:

-142.06

Dipole, Da:

9.9

IP(EA), eV:

 -9.03(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-(3,5-dichlorophenyl)-5-(4-hydroxy-3-nitrophenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations