Geometry & MOs

Info

ID:	388693
PubChem CID:	134989916
Reduced:	ClN2O2S2C9H9 (1)
Stoich.:	AB2C2D2E9F9 (1)
Weight, g/mol:	256.91461
ΔH_f, kcal/mol:	-41.58
Dipole, Da:	7.28
IP(EA), eV:	-8.83(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=S(SC(=N2)N)Cl

DOS

IR

Vibrations