Geometry & MOs

Info

ID:	269231
PubChem CID:	103616453
Reduced:	SO3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	242.097666
ΔH_f, kcal/mol:	-124.44
Dipole, Da:	5.61
IP(EA), eV:	-9.01(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(2-propylsulfonylethoxy)benzene

Drug info:

PubChemData

Smile

CCCS(=O)(=O)CCOC1=CC=CC(=C1)C

DOS

IR

Vibrations