Geometry & MOs

Info

ID:	8522
PubChem CID:	78861
Reduced:	BrSO2C6H13 (1)
Stoich.:	ABC2D6E13 (1)
Weight, g/mol:	227.98196
ΔH_f, kcal/mol:	-113.41
Dipole, Da:	5.58
IP(EA), eV:	-8.66(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxy-2-oxoethyl)-dimethylsulfanium;bromide

Drug info:

PubChemData

Smile

CCOC(=O)C[S+](C)C.[Br-]

DOS

IR

Vibrations