Geometry & MOs

Info

ID:	11964
PubChem CID:	124387
Reduced:	NSO6C20H39 (1)
Stoich.:	ABC6D20E39 (1)
Weight, g/mol:	421.249809
ΔH_f, kcal/mol:	-322.41
Dipole, Da:	7.7
IP(EA), eV:	-9.79(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7,13-dihydroxyoctadec-2-enoylamino)ethanesulfonic acid

Drug info:

PubChemData

Smile

CCCCCC(CCCCCC(CCCC=CC(=O)NCCS(=O)(=O)O)O)O

DOS

IR

Vibrations