Geometry & MOs

Info

ID:	321136
PubChem CID:	126664995
Reduced:	BrNSC17H36 (1)
Stoich.:	ABCD17E36 (1)
Weight, g/mol:	377.15003
ΔH_f, kcal/mol:	-15.55
Dipole, Da:	36.45
IP(EA), eV:	-5.53(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(11-aminoundecyl)imidazol-3-ium-1-yl]ethanethiol;bromide

Drug info:

PubChemData

Smile

CCC(CCCCCCCCC[N+]1(CCCC1)C)S.[Br-]

DOS

IR

Vibrations