Geometry & MOs

Info

ID:	10957
PubChem CID:	109405
Reduced:	NSNa2O8C24H41 (1)
Stoich.:	ABC2D8E24F41 (1)
Weight, g/mol:	549.234827
ΔH_f, kcal/mol:	-420.11
Dipole, Da:	34.57
IP(EA), eV:	-8.03(-2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;4-[2-(octadec-9-enoylamino)ethoxy]-4-oxo-2-sulfonatobutanoate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)NCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations