Geometry & MOs

Info

ID:	274446
PubChem CID:	103809411
Reduced:	OSN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	-0.56
Dipole, Da:	5.17
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-6-yl)-3-piperidin-3-ylbutanamide

Drug info:

PubChemData

Smile

C1CCN[C@@H](C1)C(=O)NC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations