Geometry & MOs

Info

ID:

300642

PubChem CID:

123050490

Reduced:

N2O7H20C25 (1)

Stoich.:

A2B7C20D25 (1)

Weight, g/mol:

480.072429

ΔHf, kcal/mol:

-114.24

Dipole, Da:

12.12

IP(EA), eV:

 -8.78(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=CC=C3OC)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations