Geometry & MOs

Info

ID:	10506
PubChem CID:	103343
Reduced:	NSO9C24H43 (1)
Stoich.:	ABC9D24E43 (1)
Weight, g/mol:	521.265853
ΔH_f, kcal/mol:	-452.19
Dipole, Da:	1.51
IP(EA), eV:	-9.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(12-hydroxyoctadec-9-enoylamino)ethoxy]-4-oxo-3-sulfobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCC(CC=CCCCCCCCC(=O)NCCOC(=O)C(CC(=O)O)S(=O)(=O)O)O

DOS

IR

Vibrations