Geometry & MOs

Info

ID:	175838
PubChem CID:	75957553
Reduced:	NPO8C45H80 (1)
Stoich.:	ABC8D45E80 (1)
Weight, g/mol:	809.520685
ΔH_f, kcal/mol:	-496.48
Dipole, Da:	4.09
IP(EA), eV:	-9.37(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[hydroxy-(2-icosa-8,11,14-trienoyloxy-3-octadeca-9,12-dienoyloxypropoxy)phosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC

DOS

IR

Vibrations