Geometry & MOs

Info

ID:	18795
PubChem CID:	548378
Reduced:	S2O3C11H14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	258.038437
ΔH_f, kcal/mol:	-94.58
Dipole, Da:	1.3
IP(EA), eV:	-8.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfanylmethylsulfonyl)-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

CSCS(=O)(=O)CCC(=O)C1=CC=CC=C1

DOS

IR

Vibrations