Geometry & MOs

Info

ID:	274440
PubChem CID:	103809387
Reduced:	N2O2F3C13H15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	261.093583
ΔH_f, kcal/mol:	-219.04
Dipole, Da:	5.89
IP(EA), eV:	-9.35(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1,3-benzothiazol-6-yl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)C(=O)NC2=CC(=C(C=C2)OC(F)F)F

DOS

IR

Vibrations