Geometry & MOs

Info

ID:	229202
PubChem CID:	87567169
Reduced:	NSO4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	326.142604
ΔH_f, kcal/mol:	-160.66
Dipole, Da:	9.32
IP(EA), eV:	-9.45(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-butyl-3-oxopiperidin-1-ium-1-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations