Geometry & MOs

Info

ID:	44178
PubChem CID:	10501406
Reduced:	SN2O4C8H12 (1)
Stoich.:	AB2C4D8E12 (1)
Weight, g/mol:	325.062244
ΔH_f, kcal/mol:	-123.46
Dipole, Da:	2.22
IP(EA), eV:	-8.42(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-benzyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OS(=O)(=O)C)NN

DOS

IR

Vibrations