Geometry & MOs

Info

ID:	176390
PubChem CID:	76042301
Reduced:	NPO7C43H86 (1)
Stoich.:	ABC7D43E86 (1)
Weight, g/mol:	1020.474141
ΔH_f, kcal/mol:	-535.77
Dipole, Da:	2.39
IP(EA), eV:	-9.09(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[hydroxy-(2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl)oxyphosphoryl]oxy-3-octadeca-9,12,15-trienoyloxypropan-2-yl] octadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC=CCCCCCCCCCCCCCC

DOS

IR

Vibrations