Geometry & MOs

Info

ID:	73488
PubChem CID:	48417885
Reduced:	FSO2N4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	383.146762
ΔH_f, kcal/mol:	-63.06
Dipole, Da:	2.11
IP(EA), eV:	-8.76(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CNC(=O)C2=CC=CC=C2F)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations