Geometry & MOs

Info

ID:	297363
PubChem CID:	117616276
Reduced:	SN2O11C19H36 (1)
Stoich.:	AB2C11D19E36 (1)
Weight, g/mol:	296.12936
ΔH_f, kcal/mol:	-526.92
Dipole, Da:	4.56
IP(EA), eV:	-9.16(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,6R)-2-(hydroxymethyl)-6-(6-sulfanylhexoxy)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C[C@@H](C(CO)O[C@H]([C@H](CO)NC(=O)C)O[C@@H]1C(O[C@H]([C@H](C1O)NC(=O)C)OCCS)CO)O

DOS

IR

Vibrations