Geometry & MOs

Info

ID:	141767
PubChem CID:	52926022
Reduced:	NPO10C38H74 (1)
Stoich.:	ABC10D38E74 (1)
Weight, g/mol:	789.58837
ΔH_f, kcal/mol:	-653.72
Dipole, Da:	5.09
IP(EA), eV:	-9.87(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-icosoxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N

DOS

IR

Vibrations