Geometry & MOs

Info

ID:	70474
PubChem CID:	48413399
Reduced:	O2S2N4C19H22 (1)
Stoich.:	A2B2C4D19E22 (1)
Weight, g/mol:	405.098097
ΔH_f, kcal/mol:	-7.85
Dipole, Da:	5.08
IP(EA), eV:	-8.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)CCC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations