Geometry & MOs

Info

ID:	338870
PubChem CID:	127259881
Reduced:	ClSO2N3C11H16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	326.996821
ΔH_f, kcal/mol:	-47.33
Dipole, Da:	4.38
IP(EA), eV:	-8.53(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-nitrophenyl) phenylmethanesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS(=O)(=O)N)N/N=C/CCCCl

DOS

IR

Vibrations