Geometry & MOs

Info

ID:	151359
PubChem CID:	53801133
Reduced:	PO3C20H39 (1)
Stoich.:	AB3C20D39 (1)
Weight, g/mol:	421.231182
ΔH_f, kcal/mol:	-186.31
Dipole, Da:	1.01
IP(EA), eV:	-9.63(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-[(3R,4S,5S,6R)-3-acetamido-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC=COC(=O)COP

DOS

IR

Vibrations