Geometry & MOs

Info

ID:	343700
PubChem CID:	127266876
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	340.156912
ΔH_f, kcal/mol:	-100.03
Dipole, Da:	2.8
IP(EA), eV:	-10.04(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylcyclobutyl)-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(CCCO)CNS(=O)(=O)C1=CC=CC=C1CC#N

DOS

IR

Vibrations