Geometry & MOs

Info

ID:	353742
PubChem CID:	127285319
Reduced:	FSN3O3C19H28 (1)
Stoich.:	ABC3D3E19F28 (1)
Weight, g/mol:	393.163474
ΔH_f, kcal/mol:	-168.48
Dipole, Da:	8.45
IP(EA), eV:	-9.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN2CCCC(C2)NS(=O)(=O)C3=CC=CC(=C3)F

DOS

IR

Vibrations