Geometry & MOs

Info

ID:	2290
PubChem CID:	6642
Reduced:	SO3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	214.066365
ΔH_f, kcal/mol:	-114.17
Dipole, Da:	4.41
IP(EA), eV:	-10.33(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl benzenesulfonate

Drug info:

PubChemData

Smile

CCCCOS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations