Geometry & MOs

Info

ID:	388661
PubChem CID:	134989779
Reduced:	NSO2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	194.027575
ΔH_f, kcal/mol:	19.45
Dipole, Da:	5.31
IP(EA), eV:	-8.83(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C([O+]=NS2)[O-]

DOS

IR

Vibrations