Geometry & MOs

Info

ID:	227088
PubChem CID:	87560139
Reduced:	SF3O5H21C24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	271.909306
ΔH_f, kcal/mol:	-309.68
Dipole, Da:	5.55
IP(EA), eV:	-9.38(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;7-chloro-1,2,3-benzothiadiazole-6-sulfonate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C=C(C(=C2S(=O)(=O)CC3=CC=CC=C3)CC(=O)O)C(F)(F)F)OC

DOS

IR

Vibrations