Geometry & MOs

Info

ID:	10780
PubChem CID:	107894
Reduced:	NS2O5C8H19 (1)
Stoich.:	AB2C5D8E19 (1)
Weight, g/mol:	273.070465
ΔH_f, kcal/mol:	-232.21
Dipole, Da:	7.98
IP(EA), eV:	-8.74(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5S)-6-[bis(sulfanyl)methyl-methylamino]hexane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(S)S

DOS

IR

Vibrations