Geometry & MOs

Info

ID:	338965
PubChem CID:	127259976
Reduced:	ClSO3C9H11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	321.030708
ΔH_f, kcal/mol:	-115.95
Dipole, Da:	4.04
IP(EA), eV:	-10.44(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-nitrophenyl)-2-oxoethyl] benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OCCCCl

DOS

IR

Vibrations