Geometry & MOs

Info

ID:	70504
PubChem CID:	48413442
Reduced:	O2S2N3C19H21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	391.082447
ΔH_f, kcal/mol:	-20.87
Dipole, Da:	6.77
IP(EA), eV:	-8.69(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations