Geometry & MOs

Info

ID:

141764

PubChem CID:

52925640

Reduced:

NPO10C40H76 (1)

Stoich.:

ABC10D40E76 (1)

Weight, g/mol:

841.583285

ΔHf, kcal/mol:

-635.84

Dipole, Da:

4.33

IP(EA), eV:

 -9.53(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-3-[[(2R)-3-docosanoyloxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N

DOS

IR

Vibrations