Geometry & MOs

Info

ID:

404148

PubChem CID:

135065228

Reduced:

NiF8H8N8C32 (1)

Stoich.:

AB8C8D8E32 (1)

Weight, g/mol:

1504.606707

ΔHf, kcal/mol:

135.79

Dipole, Da:

12.59

IP(EA), eV:

 -8.09(-2.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

zinc;5,8,14,17,23,26,32,35-octakis(hexylsulfanyl)-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C3=NC4=NC(=NC5=C6C(=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8F)F)C(=N7)N=C2[N-]3)F)F)C9=C4C(=CC(=C9)F)F)F)F.[Ni+2]

DOS

IR

Vibrations