Geometry & MOs

Info

ID:

408197

PubChem CID:

135080958

Reduced:

OVN8H36C40 (1)

Stoich.:

ABC8D36E40 (1)

Weight, g/mol:

1675.194474

ΔHf, kcal/mol:

334.92

Dipole, Da:

5.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 5.015062

Charge, e:

 0

Chem-info

IUPAC name:

cobalt(2+);5,8,14,17,23,26,32,35-octakis[(4-methoxyphenyl)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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

Drug info:

PubChemData

Smile

CC1(C2=NC3=NC(=NC4=C5C=CC6=CC=CC=C6C5=C([N-]4)N=C7C(C(C(=N7)N=C(C1(C)C)[N-]2)(C)C)(C)C)C8=C3C9=CC=CC=C9C=C8)C.O=[V+2]

DOS

IR

Vibrations