Geometry & MOs

Info

ID:	339028
PubChem CID:	127260039
Reduced:	SO4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	284.144616
ΔH_f, kcal/mol:	-132.28
Dipole, Da:	5.32
IP(EA), eV:	-8.67(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nonan-2-yl benzenesulfonate

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)O)OS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations