Geometry & MOs

Info

ID:	274447
PubChem CID:	103809418
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-18.35
Dipole, Da:	4.8
IP(EA), eV:	-8.9(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC2=C(C=C1)N=CS2)C3CCCNC3

DOS

IR

Vibrations