Geometry & MOs

Info

ID:

300640

PubChem CID:

123050466

Reduced:

N2O8H22C27 (1)

Stoich.:

A2B8C22D27 (1)

Weight, g/mol:

488.158351

ΔHf, kcal/mol:

-171.67

Dipole, Da:

5.01

IP(EA), eV:

 -8.9(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)CC(=O)OC)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations