Geometry & MOs

Info

ID:

300643

PubChem CID:

123050493

Reduced:

ClN2O7H17C24 (1)

Stoich.:

AB2C7D17E24 (1)

Weight, g/mol:

460.127051

ΔHf, kcal/mol:

-129.36

Dipole, Da:

6.93

IP(EA), eV:

 -8.99(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-(2-hydroxy-5-methylphenyl)-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=C(C=CC(=C3)Cl)O)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations