Geometry & MOs

Info

ID:	10786
PubChem CID:	107934
Reduced:	NO2S2C6H16 (1)
Stoich.:	AB2C2D6E16 (1)
Weight, g/mol:	198.062246
ΔH_f, kcal/mol:	-95.28
Dipole, Da:	10.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753202
Charge, e:	1

Chem-info

IUPAC name:

trimethyl(2-methylsulfonylsulfanylethyl)azanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CCSS(=O)(=O)C

DOS

IR

Vibrations