Geometry & MOs

Info

ID:	10783
PubChem CID:	107910
Reduced:	NS2O9C12H21 (1)
Stoich.:	AB2C9D12E21 (1)
Weight, g/mol:	387.065774
ΔH_f, kcal/mol:	-346.73
Dipole, Da:	6.61
IP(EA), eV:	-9.49(-0.83)
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-sulfooxyhex-5-enimidothioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations