Geometry & MOs

Info

ID:	175839
PubChem CID:	75958393
Reduced:	NPO10C44H76 (1)
Stoich.:	ABC10D44E76 (1)
Weight, g/mol:	787.536335
ΔH_f, kcal/mol:	-564.53
Dipole, Da:	6.67
IP(EA), eV:	-9.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[(2-hexadecanoyloxy-3-icosa-11,14-dienoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCC=CCC=CCC=CCCCCC

DOS

IR

Vibrations