Geometry & MOs

Info

ID:	70475
PubChem CID:	48413400
Reduced:	FO2S2N3C19H20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	363.082367
ΔH_f, kcal/mol:	-72.09
Dipole, Da:	4.85
IP(EA), eV:	-8.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations