Geometry & MOs

Info

ID:

376439

PubChem CID:

134222452

Reduced:

N2O7H22C34 (2)

Stoich.:

A2B7C22D34 (2)

Weight, g/mol:

506.184172

ΔHf, kcal/mol:

-270.87

Dipole, Da:

5.09

IP(EA), eV:

 -8.79(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)OC7=CC=C(C=C7)C(C)(C)C8=CC=C(C=C8)OC9=CC=C(C=C9)N1C(=O)C2=C(C1=O)C=C(C=C2)OC1=CC2=C(C=C1)C(=O)N(C2=O)C)C(=O)O

DOS

IR

Vibrations