Geometry & MOs

Info

ID:	270006
PubChem CID:	103621942
Reduced:	FINOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	289.049668
ΔH_f, kcal/mol:	-34.57
Dipole, Da:	6.75
IP(EA), eV:	-8.91(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-6-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CCN(C1=CC(=CC=C1)F)C(=O)C2=CC=CC(=C2I)C

DOS

IR

Vibrations