Geometry & MOs

Info

ID:	383642
PubChem CID:	134975483
Reduced:	BrSN2O4C7H7 (1)
Stoich.:	ABC2D4E7F7 (1)
Weight, g/mol:	262.99384
ΔH_f, kcal/mol:	-58.54
Dipole, Da:	3.34
IP(EA), eV:	-10.31(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-ethyl-6-methoxy-1,2-benzothiazol-2-ium;chloride

Drug info:

PubChemData

Smile

CC(C1=C(SC(=N1)Br)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations