Geometry & MOs

Info

ID:	338964
PubChem CID:	127259975
Reduced:	ClSO3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	234.011743
ΔH_f, kcal/mol:	-90.64
Dipole, Da:	5.67
IP(EA), eV:	-9.76(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloropropyl benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC/C=C/Cl

DOS

IR

Vibrations