Geometry & MOs

Info

ID:	321174
PubChem CID:	126665100
Reduced:	BrSN2C5H15 (1)
Stoich.:	ABC2D5E15 (1)
Weight, g/mol:	402.17043
ΔH_f, kcal/mol:	-8.74
Dipole, Da:	11.01
IP(EA), eV:	-8.14(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations