Geometry & MOs

Info

ID:	73492
PubChem CID:	48417901
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	385.126026
ΔH_f, kcal/mol:	12.22
Dipole, Da:	3.62
IP(EA), eV:	-8.71(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-(2-fluorophenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations