Geometry & MOs

Info

ID:	52304
PubChem CID:	12015130
Reduced:	OS2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	192.064257
ΔH_f, kcal/mol:	48.57
Dipole, Da:	5.09
IP(EA), eV:	-8.42(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS[C@@H]([S@@](=O)C1)C#CC2=CC=CC=C2

DOS

IR

Vibrations