Geometry & MOs

Info

ID:	338961
PubChem CID:	127259972
Reduced:	NS2C6H7O7 (1)
Stoich.:	AB2C6D7E7 (1)
Weight, g/mol:	312.981171
ΔH_f, kcal/mol:	-232.65
Dipole, Da:	4.33
IP(EA), eV:	-10.26(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-5-nitrophenyl) benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OS(=O)(=O)ON)S(=O)(=O)O

DOS

IR

Vibrations