Geometry & MOs

Info

ID:	70499
PubChem CID:	48413435
Reduced:	F2O2S2N3H17C18 (1)
Stoich.:	A2B2C2D3E17F18 (1)
Weight, g/mol:	408.048146
ΔH_f, kcal/mol:	-103.66
Dipole, Da:	6.06
IP(EA), eV:	-8.44(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-chloropyridine-3-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)C2=C(C=CC=C2F)F)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations