Geometry & MOs

Info

ID:	2173
PubChem CID:	6104
Reduced:	AuSO5C6H11 (1)
Stoich.:	ABC5D6E11 (1)
Weight, g/mol:	391.99929
ΔH_f, kcal/mol:	-164.73
Dipole, Da:	3.11
IP(EA), eV:	-9.3(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

gold(1+);(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-thiolate

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)[S-])O)O)O)O.[Au+]

DOS

IR

Vibrations