Geometry & MOs

Info

ID:	52174
PubChem CID:	12014973
Reduced:	SO2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	346.057852
ΔH_f, kcal/mol:	-127.49
Dipole, Da:	2.14
IP(EA), eV:	-9.11(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R,5S)-4-methylsulfonyloxy-5-pentylthiolan-3-yl] methanesulfonate

Drug info:

PubChemData

Smile

CCCCC[C@H]1[C@@H]([C@@H](CS1)O)O

DOS

IR

Vibrations