Geometry & MOs

Info

ID:

300786

PubChem CID:

123055004

Reduced:

N2O9H26C28 (1)

Stoich.:

A2B9C26D28 (1)

Weight, g/mol:

546.200216

ΔHf, kcal/mol:

-202.65

Dipole, Da:

6.73

IP(EA), eV:

 -8.1(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(4-hydroxy-3-nitrophenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-[4-(2-methylpropoxy)phenyl]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)OC)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations