Geometry & MOs

Info

ID:	4012
PubChem CID:	10585
Reduced:	SO3C8H10 (1)
Stoich.:	AB3C8D10 (1)
Weight, g/mol:	186.035065
ΔH_f, kcal/mol:	-104.63
Dipole, Da:	4.42
IP(EA), eV:	-10.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl benzenesulfonate

Drug info:

PubChemData

Smile

CCOS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations