Geometry & MOs

Info

ID:

408156

PubChem CID:

135080916

Reduced:

ZnN8S8C24H24 (1)

Stoich.:

AB8C8D24E24 (1)

Weight, g/mol:

504.174413

ΔHf, kcal/mol:

367.41

Dipole, Da:

3.07

IP(EA), eV:

 -7.8(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

1-(1-methylpyridin-1-ium-3-yl)oxy-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

CSC1=C(C2=NC3=NC(=NC4=C(C(=C([N-]4)N=C5C(=C(C(=N5)N=C1[N-]2)SC)SC)SC)SC)C(=C3SC)SC)SC.[Zn+2]

DOS

IR

Vibrations