Geometry & MOs

Info

ID:

300788

PubChem CID:

123055006

Reduced:

ClN2O8H23C27 (1)

Stoich.:

AB2C8D23E27 (1)

Weight, g/mol:

542.064756

ΔHf, kcal/mol:

-174.41

Dipole, Da:

7.36

IP(EA), eV:

 -8.5(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-(3,4-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)OC)Cl)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations