Geometry & MOs

Info

ID:

321147

PubChem CID:

126665036

Reduced:

SN2C18H33 (1)

Stoich.:

AB2C18D33 (1)

Weight, g/mol:

284.216044

ΔHf, kcal/mol:

-18.54

Dipole, Da:

2.02

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.979199

Charge, e:

 1

Chem-info

IUPAC name:

2-[3-(10-aminodecyl)imidazol-3-ium-1-yl]ethanethiol

Drug info:

PubChemData

Smile

C1=C[N+](=CC=C1CCCCCCCCCCCN)CCS

DOS

IR

Vibrations