Geometry & MOs

Info

ID:	260998
PubChem CID:	103213502
Reduced:	F3O3N4C10H15 (1)
Stoich.:	A3B3C4D10E15 (1)
Weight, g/mol:	262.038769
ΔH_f, kcal/mol:	-232.71
Dipole, Da:	5.94
IP(EA), eV:	-10.78(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCN1C(=NN=N1)CCOCC(F)(F)F)C(=O)O

DOS

IR

Vibrations