Geometry & MOs

Info

ID:	338963
PubChem CID:	127259974
Reduced:	SCl2O4H8C12 (1)
Stoich.:	AB2C4D8E12 (1)
Weight, g/mol:	231.996093
ΔH_f, kcal/mol:	-126.04
Dipole, Da:	7.92
IP(EA), eV:	-8.89(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-chloroprop-2-enyl] benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2)Cl)Cl)O

DOS

IR

Vibrations