Geometry & MOs

Info

ID:	274445
PubChem CID:	103809409
Reduced:	OSN3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	261.093583
ΔH_f, kcal/mol:	35.33
Dipole, Da:	3.96
IP(EA), eV:	-8.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NCC(=O)NC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations