Geometry & MOs

Info

ID:

404468

PubChem CID:

135066429

Reduced:

O2N4Cl6H11C28 (2)

Stoich.:

A2B4C6D11E28 (2)

Weight, g/mol:

1582.975025

ΔHf, kcal/mol:

224.15

Dipole, Da:

7.58

IP(EA), eV:

 -8.2(-2.78)

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

DOS

IR

Vibrations