Geometry & MOs

Info

ID:

404160

PubChem CID:

135065242

Reduced:

BBrH6I6N6C24 (1)

Stoich.:

ABC6D6E6F24 (1)

Weight, g/mol:

1114.717293

ΔHf, kcal/mol:

232.63

Dipole, Da:

4.98

IP(EA), eV:

 -8.4(-2.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-chloro-6,7,15,16,24,25-hexaheptoxy-11,20,29,30,31-pentaza-2-azonia-1-boranuidanonacyclo[17.10.1.13,28.02,10.04,9.012,30.013,18.021,29.022,27]hentriaconta-2(10),3(31),4,6,8,11,13,15,17,19,21,23,25,27-tetradecaene

Drug info:

PubChemData

Smile

[B-]12(N3C4=C5C=C(C(=CC5=C3N=C6[N+]1=C(C7=CC(=C(C=C76)I)I)N=C8N2C(=N4)C9=CC(=C(C=C98)I)I)I)I)Br

DOS

IR

Vibrations