Geometry & MOs

Info

ID:	20808
PubChem CID:	585808
Reduced:	OS3C6H12 (1)
Stoich.:	AB3C6D12 (1)
Weight, g/mol:	196.005029
ΔH_f, kcal/mol:	-27.68
Dipole, Da:	5.6
IP(EA), eV:	-8.33(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trimethyl-1,3,5-trithiane 1-oxide

Drug info:

PubChemData

Smile

CC1SC(S(=O)C(S1)C)C

DOS

IR

Vibrations