Geometry & MOs

Info

ID:	73494
PubChem CID:	48417918
Reduced:	FOSN3C20H20 (1)
Stoich.:	ABCD3E20F20 (1)
Weight, g/mol:	372.08116
ΔH_f, kcal/mol:	-30.68
Dipole, Da:	2.22
IP(EA), eV:	-8.54(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-chloropyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CC2=CC=CC=C2F)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations