Geometry & MOs

Info

ID:	321118
PubChem CID:	126664937
Reduced:	BrSN2C18H33 (1)
Stoich.:	ABC2D18E33 (1)
Weight, g/mol:	214.137794
ΔH_f, kcal/mol:	-33.98
Dipole, Da:	7.87
IP(EA), eV:	-7.72(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-(5-aminopentyl)imidazol-3-ium-1-yl]ethanethiol

Drug info:

PubChemData

Smile

C1=C[N+](=CC=C1CN)CCCCCCCCCCCCS.[Br-]

DOS

IR

Vibrations