Geometry & MOs

Info

ID:

52591

PubChem CID:

12015522

Reduced:

N2Cl3O4H31C35 (1)

Stoich.:

A2B3C4D31E35 (1)

Weight, g/mol:

708.298808

ΔHf, kcal/mol:

-111.17

Dipole, Da:

1.83

IP(EA), eV:

 -9.5(-2.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,13-bis(2-tert-butylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-phenylethynylbenzene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6=CC=CC=C6C(C)(C)C)C2=O.C(Cl)(Cl)Cl

DOS

IR

Vibrations