Geometry & MOs

Info

ID:	175858
PubChem CID:	75960854
Reduced:	PO13C50H95 (1)
Stoich.:	AB13C50D95 (1)
Weight, g/mol:	864.57278
ΔH_f, kcal/mol:	-822.77
Dipole, Da:	6.95
IP(EA), eV:	-9.56(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-tetradecanoyloxypropyl] docos-11-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O

DOS

IR

Vibrations