Geometry & MOs

Info

ID:

50789

PubChem CID:

12013377

Reduced:

NSO3C13H30 (1)

Stoich.:

ABC3D13E30 (1)

Weight, g/mol:

293.202465

ΔHf, kcal/mol:

-142.21

Dipole, Da:

3.61

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751008

Charge, e:

 0

Chem-info

IUPAC name:

4-[dimethyl(octyl)azaniumyl]butane-1-sulfonate

Drug info:

PubChemData

Smile

CCCCCCC[N+](C)(C)CCCCS(=O)(=O)O

DOS

IR

Vibrations