Geometry & MOs

Info

ID:	11194
PubChem CID:	111690
Reduced:	NSCl2O6H7C12 (1)
Stoich.:	ABC2D6E7F12 (1)
Weight, g/mol:	362.937114
ΔH_f, kcal/mol:	-120.97
Dipole, Da:	4.7
IP(EA), eV:	-9.76(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)S(=O)(=O)O

DOS

IR

Vibrations