Geometry & MOs

Info

ID:

300792

PubChem CID:

123055015

Reduced:

N2O9H24C28 (1)

Stoich.:

A2B9C24D28 (1)

Weight, g/mol:

518.168916

ΔHf, kcal/mol:

-211.17

Dipole, Da:

8.27

IP(EA), eV:

 -9.16(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-(4-ethoxyphenyl)-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=CC(=C3)C(=O)OC)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations