Geometry & MOs

Info

ID:	73502
PubChem CID:	48417934
Reduced:	FOSN3C20H20 (1)
Stoich.:	ABCD3E20F20 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-32.48
Dipole, Da:	1.74
IP(EA), eV:	-8.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CC2=CC(=CC=C2)F)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations