Geometry & MOs

Info

ID:	305534
PubChem CID:	124958700
Reduced:	SO3N5C15H25 (1)
Stoich.:	AB3C5D15E25 (1)
Weight, g/mol:	324.105625
ΔH_f, kcal/mol:	-106.12
Dipole, Da:	7.64
IP(EA), eV:	-9.48(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCC[C@H]1C2=NC=CC(=N2)CNC(=O)C

DOS

IR

Vibrations