Geometry & MOs

Info

ID:	32493
PubChem CID:	7838933
Reduced:	NF3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	282.152775
ΔH_f, kcal/mol:	-248.9
Dipole, Da:	5.18
IP(EA), eV:	-8.79(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]piperidin-1-ium

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations