Geometry & MOs

Info

ID:	52303
PubChem CID:	12015129
Reduced:	OS2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	236.032957
ΔH_f, kcal/mol:	-11.7
Dipole, Da:	4.93
IP(EA), eV:	-8.33(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-(2-phenylethynyl)-1,3-dithiane 1-oxide

Drug info:

PubChemData

Smile

C1CS[C@@H]([S@@](=O)C1)CCC2=CC=CC=C2

DOS

IR

Vibrations