Geometry & MOs

Info

ID:	321175
PubChem CID:	126665102
Reduced:	BrSN2C19H35 (1)
Stoich.:	ABC2D19E35 (1)
Weight, g/mol:	323.252095
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	8.21
IP(EA), eV:	-7.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(12-aminododecyl)pyridin-1-ium-1-yl]ethanethiol

Drug info:

PubChemData

Smile

C1=C[N+](=CC=C1CCCCCCCCCCCCN)CCS.[Br-]

DOS

IR

Vibrations