Geometry & MOs

Info

ID:	73506
PubChem CID:	48417959
Reduced:	OSF3N3H20C21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	404.130697
ΔH_f, kcal/mol:	-145.4
Dipole, Da:	5.2
IP(EA), eV:	-8.8(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations