Geometry & MOs

Info

ID:	388694
PubChem CID:	134989917
Reduced:	BrNSO2H4C8 (1)
Stoich.:	ABCD2E4F8 (1)
Weight, g/mol:	257.92244
ΔH_f, kcal/mol:	31.24
Dipole, Da:	4.1
IP(EA), eV:	-9.2(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(4-bromophenyl)-1,3,2-oxathiazol-1-ium-5-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C([O+]=NS2)[O-])Br

DOS

IR

Vibrations