Geometry & MOs

Info

ID:	31024
PubChem CID:	854155
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	208.025467
ΔH_f, kcal/mol:	-156.81
Dipole, Da:	3.75
IP(EA), eV:	-10.15(0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,4-dihydro-2H-[1,3]thiazino[2,3-b][1,3]benzothiazol-5-ium

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CC[C@@H](CC1=O)C

DOS

IR

Vibrations