Geometry & MOs

Info

ID:

403997

PubChem CID:

135064168

Reduced:

N2S2O3C14H16 (1)

Stoich.:

A2B2C3D14E16 (1)

Weight, g/mol:

1072.167316

ΔHf, kcal/mol:

-72.39

Dipole, Da:

2.61

IP(EA), eV:

 -8.66(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 4

Chem-info

IUPAC name:

zinc;5,14,23,32-tetrakis[(1-methylpyridin-1-ium-2-yl)sulfanyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

CN(C(=O)C(C1=CC=CS1)NC2=CC=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations