Geometry & MOs

Info

ID:

407978

PubChem CID:

135080733

Reduced:

O2Cl6N6H9C26 (2)

Stoich.:

A2B6C6D9E26 (2)

Weight, g/mol:

1590.937017

ΔHf, kcal/mol:

275.78

Dipole, Da:

11.33

IP(EA), eV:

 -8.43(-2.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cobalt(2+);5,7,14,16,23,25,32,34-octachloro-6,8,15,17,24,26,33,35-octapyridin-3-yloxy-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

C1=CC(=CN=C1)OC2=C(C3=C(C(=C2Cl)Cl)C4=NC5=NC(=NC6=NC(=NC7=C8C(=C(N7)N=C3N4)C(=C(C(=C8Cl)OC9=CN=CC=C9)Cl)Cl)C1=C6C(=C(C(=C1Cl)Cl)OC1=CN=CC=C1)Cl)C1=C5C(=C(C(=C1Cl)Cl)OC1=CN=CC=C1)Cl)Cl

DOS

IR

Vibrations