Geometry & MOs

Info

ID:	321124
PubChem CID:	126664957
Reduced:	BrSN3C9H18 (1)
Stoich.:	ABC3D9E18 (1)
Weight, g/mol:	415.408596
ΔH_f, kcal/mol:	-7.66
Dipole, Da:	2.81
IP(EA), eV:	-8.22(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

butyl-hexyl-[4-(propylamino)butyl]-(8-sulfanyloctyl)azanium

Drug info:

PubChemData

Smile

C1=C[N+](=CN1CCCCCS)CN.[Br-]

DOS

IR

Vibrations