Geometry & MOs

Info

ID:	11707
PubChem CID:	119397
Reduced:	NS2O9C10H17 (1)
Stoich.:	AB2C9D10E17 (1)
Weight, g/mol:	359.034473
ΔH_f, kcal/mol:	-329.87
Dipole, Da:	6.41
IP(EA), eV:	-9.56(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxybut-3-enimidothioate

Drug info:

PubChemData

Smile

C=CCC(=NOS(=O)(=O)O)S[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

DOS

IR

Vibrations