Geometry & MOs

Info

ID:	70483
PubChem CID:	48413414
Reduced:	O2S2N5C16H19 (1)
Stoich.:	A2B2C5D16E19 (1)
Weight, g/mol:	405.098097
ΔH_f, kcal/mol:	6.1
Dipole, Da:	6.64
IP(EA), eV:	-8.41(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations