Geometry & MOs

Info

ID:	52302
PubChem CID:	12015128
Reduced:	OS2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	240.064257
ΔH_f, kcal/mol:	-6.55
Dipole, Da:	5.1
IP(EA), eV:	-8.25(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations