Geometry & MOs

Info

ID:	228842
PubChem CID:	87565932
Reduced:	NSO4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	326.142604
ΔH_f, kcal/mol:	-150.18
Dipole, Da:	14.62
IP(EA), eV:	-9.13(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(2-methylpropyl)-4-oxopiperidin-1-ium-1-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)C[NH+]1CCC(=O)CC1

DOS

IR

Vibrations