Geometry & MOs

Info

ID:	52295
PubChem CID:	12015118
Reduced:	OS2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	178.048607
ΔH_f, kcal/mol:	-3.22
Dipole, Da:	4.05
IP(EA), eV:	-8.55(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-tert-butyl-1,3-dithiolane 1-oxide

Drug info:

PubChemData

Smile

C1C[S@](=O)[C@H](S1)CC2=CC=CC=C2

DOS

IR

Vibrations