Geometry & MOs

Info

ID:

233281

PubChem CID:

89449637

Reduced:

O11C39H48 (1)

Stoich.:

A11B39C48 (1)

Weight, g/mol:

624.25627

ΔHf, kcal/mol:

-401.34

Dipole, Da:

4.36

IP(EA), eV:

 -8.87(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-bromo-5,11-didecyl-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OCCOCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCOCC4(COC4)C

DOS

IR

Vibrations