Geometry & MOs

Info

ID:	17446
PubChem CID:	499217
Reduced:	CoN3O3S3C18H20 (1)
Stoich.:	AB3C3D3E18F20 (1)
Weight, g/mol:	480.999874
ΔH_f, kcal/mol:	121.83
Dipole, Da:	43.7
IP(EA), eV:	-11.18(-7.78)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

cobalt(3+);1-hydroxy-6-methylpyridin-1-ium-2-thiolate;6-methyl-1-oxidopyridin-1-ium-2-thiolate

Drug info:

PubChemData

Smile

CC1=[N+](C(=CC=C1)[S-])O.CC1=[N+](C(=CC=C1)[S-])O.CC1=[N+](C(=CC=C1)[S-])[O-].[Co+3]

DOS

IR

Vibrations