Geometry & MOs

Info

ID:	73516
PubChem CID:	48418012
Reduced:	OS2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	371.085911
ΔH_f, kcal/mol:	18.25
Dipole, Da:	4.25
IP(EA), eV:	-8.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations