Geometry & MOs

Info

ID:	26301
PubChem CID:	643901
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	970.458491
ΔH_f, kcal/mol:	-78.29
Dipole, Da:	2.3
IP(EA), eV:	-8.24(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate

Drug info:

PubChemData

Smile

C/C=C\OC1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations