Geometry & MOs

Info

ID:	1801
PubChem CID:	5070
Reduced:	OSN2F3H5C8 (1)
Stoich.:	ABC2D3E5F8 (1)
Weight, g/mol:	234.007468
ΔH_f, kcal/mol:	-155.89
Dipole, Da:	3.71
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N

DOS

IR

Vibrations