Geometry & MOs

Info

ID:	28535
PubChem CID:	828155
Reduced:	ClO3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	214.069046
ΔH_f, kcal/mol:	-68.97
Dipole, Da:	6.15
IP(EA), eV:	-9.77(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,3-dimethylbenzo[g][1,3]benzothiazol-3-ium

Drug info:

PubChemData

Smile

CC(=O)C[C@@H](C1=CC=CC=C1)C2(C(=O)C3=CC=CC=C3C2=O)Cl

DOS

IR

Vibrations