Geometry & MOs

Info

ID:

404466

PubChem CID:

135066425

Reduced:

Cl4N4S4C32H37 (2)

Stoich.:

A4B4C4D32E37 (2)

Weight, g/mol:

1352.711327

ΔHf, kcal/mol:

138.75

Dipole, Da:

6.93

IP(EA), eV:

 -7.75(-2.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

CCCCSC1=C(C2=C(C(=C1SCCCC)Cl)C3=NC4=NC(=NC5=NC(=NC6=C7C(=C(N6)N=C2N3)C(=C(C(=C7Cl)SCCCC)SCCCC)Cl)C8=C5C(=C(C(=C8Cl)SCCCC)SCCCC)Cl)C9=C4C(=C(C(=C9Cl)SCCCC)SCCCC)Cl)Cl

DOS

IR

Vibrations