Geometry & MOs

Info

ID:	125644
PubChem CID:	50930871
Reduced:	CoO4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	487.15188
ΔH_f, kcal/mol:	-156.52
Dipole, Da:	33.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766993
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-1-[2-methyl-1-[(2-methyl-2-sulfidopropyl)-(2-piperidin-1-ylethyl)amino]propan-2-yl]azanidylpropane-2-thiolate;oxo(99Tc)technetium-99(4+)

Drug info:

PubChemData

Smile

C/C(=C(/O)\C)/C(=O)C.C/C(=C(/O)\C)/C(=O)C.[Co]

DOS

IR

Vibrations