Geometry & MOs

Info

ID:	399987
PubChem CID:	135044363
Reduced:	NO3C7H7 (1)
Stoich.:	AB3C7D7 (1)
Weight, g/mol:	274.074919
ΔH_f, kcal/mol:	-82.86
Dipole, Da:	5.5
IP(EA), eV:	-9.58(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3S,6S)-2-(hydroxymethyl)-6-pyridin-1-ium-2-ylsulfanyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1C[C@H]2C(=O)C(=O)C(=O)N2C1

DOS

IR

Vibrations