Geometry & MOs

Info

ID:

408341

PubChem CID:

135081107

Reduced:

BClN6C30H42 (1)

Stoich.:

ABC6D30E42 (1)

Weight, g/mol:

1481.002784

ΔHf, kcal/mol:

134.78

Dipole, Da:

7.67

IP(EA), eV:

 -8.73(-2.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-chloro-4,5,9,10,14,15-hexakis(dodecylsulfanyl)-7,12,17,18,19-pentaza-2-azonia-1-boranuidahexacyclo[9.6.1.13,16.02,6.08,18.013,17]nonadeca-2(6),3(19),4,7,9,11,13,15-octaene

Drug info:

PubChemData

Smile

[B-]12(N3C4=C(C(=C3N=C5[N+]1=C(C(=C5CCC)CCC)N=C6N2C(=N4)C(=C6CCC)CCC)CCC)CCC)Cl

DOS

IR

Vibrations