Geometry & MOs

Info

ID:	297370
PubChem CID:	117616342
Reduced:	SO10C12H22 (1)
Stoich.:	AB10C12D22 (1)
Weight, g/mol:	460.14369
ΔH_f, kcal/mol:	-448.72
Dipole, Da:	2.1
IP(EA), eV:	-9.09(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R)-2-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(5-sulfanylpentoxy)oxan-3-yl]oxy-6-(sulfanylmethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C(C1[C@H](C([C@@H](C(O1)O)O)O)O[C@H]2[C@H](C([C@H](C(O2)CS)O)O)O)O

DOS

IR

Vibrations