Geometry & MOs

Info

ID:	10928
PubChem CID:	109157
Reduced:	SN2O6C25H50 (1)
Stoich.:	AB2C6D25E50 (1)
Weight, g/mol:	506.338959
ΔH_f, kcal/mol:	-333.42
Dipole, Da:	4.29
IP(EA), eV:	-9.37(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[2-hydroxyethyl-[2-(octadec-9-enoylamino)ethyl]amino]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)NCCN(CCO)CC(CS(=O)(=O)O)O

DOS

IR

Vibrations