Geometry & MOs

Info

ID:	80392
PubChem CID:	49834278
Reduced:	SO3N4C26H30 (1)
Stoich.:	AB3C4D26E30 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	-63.79
Dipole, Da:	2.54
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)CC2=CNC3=C2C=CC(=C3)OC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations