Geometry & MOs

Info

ID:	6181
PubChem CID:	67368
Reduced:	NNaSO4C21H42 (1)
Stoich.:	ABCD4E21F42 (1)
Weight, g/mol:	427.273224
ΔH_f, kcal/mol:	-295.41
Dipole, Da:	4.18
IP(EA), eV:	-9.3(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[methyl(octadecanoyl)amino]ethanesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations