Geometry & MOs

Info

ID:	11950
PubChem CID:	124189
Reduced:	NSO3C6H13 (1)
Stoich.:	ABC3D6E13 (1)
Weight, g/mol:	179.061614
ΔH_f, kcal/mol:	-146.04
Dipole, Da:	2.99
IP(EA), eV:	-9.14(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4S,5R)-4-amino-5-methylsulfanylcyclopentane-1,2,3-triol

Drug info:

PubChemData

Smile

CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N

DOS

IR

Vibrations