Geometry & MOs

Info

ID:	335571
PubChem CID:	127254433
Reduced:	FNO5H26C35 (1)
Stoich.:	ABC5D26E35 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-96.03
Dipole, Da:	4.91
IP(EA), eV:	-8.37(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3(C4N2C5=C(C=C4)C=C(C=C5)F)C(=O)C6=CC=CC=C6C3=O)C7=CC(=CC=C7)OC

DOS

IR

Vibrations