Geometry & MOs

Info

ID:	9639
PubChem CID:	91829
Reduced:	NSNa2O9C26H45 (1)
Stoich.:	ABC2D9E26F45 (1)
Weight, g/mol:	593.261042
ΔH_f, kcal/mol:	-515.16
Dipole, Da:	22.2
IP(EA), eV:	-9.19(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;4-[2-[2-(octadec-9-enoylamino)ethoxy]ethoxy]-4-oxo-3-sulfonatobutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations