Geometry & MOs

Info

ID:	19662
PubChem CID:	569935
Reduced:	OSN3F6H11C17 (1)
Stoich.:	ABC3D6E11F17 (1)
Weight, g/mol:	419.052702
ΔH_f, kcal/mol:	-268.78
Dipole, Da:	5.69
IP(EA), eV:	-9.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations