Geometry & MOs

Info

ID:	229308
PubChem CID:	87567383
Reduced:	NSO4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	326.142604
ΔH_f, kcal/mol:	-137.3
Dipole, Da:	5.91
IP(EA), eV:	-8.92(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)S2)OCOC)/C)C

DOS

IR

Vibrations