Geometry & MOs

Info

ID:

300784

PubChem CID:

123055002

Reduced:

N2O9H24C28 (1)

Stoich.:

A2B9C24D28 (1)

Weight, g/mol:

518.13253

ΔHf, kcal/mol:

-199.96

Dipole, Da:

4.53

IP(EA), eV:

 -8.42(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(1,3-benzodioxol-5-yl)-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=CC4=C(C=C3)OCCO4)C5=CC(=C(C=C5)O)[N+](=O)[O-])/O

DOS

IR

Vibrations