Geometry & MOs

Info

ID:	321140
PubChem CID:	126665021
Reduced:	BrSN2C7H19 (1)
Stoich.:	ABC2D7E19 (1)
Weight, g/mol:	391.16568
ΔH_f, kcal/mol:	-18.03
Dipole, Da:	11.71
IP(EA), eV:	-7.99(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(12-aminododecyl)imidazol-3-ium-1-yl]ethanethiol;bromide

Drug info:

PubChemData

Smile

C[N+](C)(CCCCS)CN.[Br-]

DOS

IR

Vibrations