Geometry & MOs

Info

ID:	442935
PubChem CID:	135256976
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	288.090569
ΔH_f, kcal/mol:	-129.49
Dipole, Da:	2.49
IP(EA), eV:	-9.71(1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-(1-methoxypyridin-1-ium-2-yl)sulfanyloxane-3,4-diol

Drug info:

PubChemData

Smile

C1CCCC(CC1)C2CC(C(O2)CO)ON

DOS

IR

Vibrations