Geometry & MOs

Info

ID:	321109
PubChem CID:	126664907
Reduced:	BrSN2C8H19 (1)
Stoich.:	ABC2D8E19 (1)
Weight, g/mol:	455.439896
ΔH_f, kcal/mol:	-17.58
Dipole, Da:	10.04
IP(EA), eV:	-7.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

11-[1-[10-(dimethylamino)decyl]piperidin-1-ium-1-yl]undecane-1-thiol

Drug info:

PubChemData

Smile

C1CC[N+](CC1)(CCS)CN.[Br-]

DOS

IR

Vibrations