Geometry & MOs

Info

ID:	139459
PubChem CID:	52534339
Reduced:	ClSO2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	427.117747
ΔH_f, kcal/mol:	-25.7
Dipole, Da:	6.9
IP(EA), eV:	-8.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(6-methylpyridin-2-yl)-1-[4-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=NC=CS2)C(=O)[C@@H]3C[C@@H]3C4=CC=CC=C4Cl

DOS

IR

Vibrations