Geometry & MOs

Info

ID:

408088

PubChem CID:

135080843

Reduced:

CoS8N16O16C64H88 (1)

Stoich.:

AB8C16D16E64F88 (1)

Weight, g/mol:

1648.65422

ΔHf, kcal/mol:

-18.74

Dipole, Da:

75.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 6.859042

Charge, e:

 2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C(=C1)S(=O)(=O)N(CC)CC)C3=NC4=NC(=NC5=C6C=C(C=C(C6=C([N-]5)N=C7C8=C(C(=CC(=C8)S(=O)(=O)N(CC)CC)S(=O)(=O)N(CC)CC)C(=N7)N=C2[N-]3)S(=O)(=O)N(CC)CC)S(=O)(=O)N(CC)CC)C9=C4C=C(C=C9S(=O)(=O)N(CC)CC)S(=O)(=O)N(CC)CC.[Co+2]

DOS

IR

Vibrations