Geometry & MOs

Info

ID:	9399
PubChem CID:	89120
Reduced:	NS3O9C12H23 (1)
Stoich.:	AB3C9D12E23 (1)
Weight, g/mol:	421.053495
ΔH_f, kcal/mol:	-365.23
Dipole, Da:	7.56
IP(EA), eV:	-8.57(-0.74)
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] 5-methylsulfanyl-N-sulfooxypentanimidothioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations