Geometry & MOs

Info

ID:	175854
PubChem CID:	75960635
Reduced:	PO13C46H87 (1)
Stoich.:	AB13C46D87 (1)
Weight, g/mol:	876.57278
ΔH_f, kcal/mol:	-807.6
Dipole, Da:	5.56
IP(EA), eV:	-9.54(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-octadec-9-enoyloxypropan-2-yl] nonadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O

DOS

IR

Vibrations