Geometry & MOs

Info

ID:	70484
PubChem CID:	48413415
Reduced:	FO2S2N3C19H20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	405.098097
ΔH_f, kcal/mol:	-64.35
Dipole, Da:	7.1
IP(EA), eV:	-8.46(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-fluoro-5-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations