Geometry & MOs

Info

ID:	338962
PubChem CID:	127259973
Reduced:	ClNSO5H8C12 (1)
Stoich.:	ABCD5E8F12 (1)
Weight, g/mol:	317.952035
ΔH_f, kcal/mol:	-76.64
Dipole, Da:	6.9
IP(EA), eV:	-9.71(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dichloro-2-hydroxyphenyl) benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations