Geometry & MOs

Info

ID:	15729
PubChem CID:	448149
Reduced:	SC6O6H13 (1)
Stoich.:	AB6C6D13 (1)
Weight, g/mol:	213.043284
ΔH_f, kcal/mol:	-285.83
Dipole, Da:	2.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756650
Charge, e:	1

Chem-info

IUPAC name:

hydroxy-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfanium

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)[SH+]O)O

DOS

IR

Vibrations