Geometry & MOs

Info

ID:

141769

PubChem CID:

52926173

Reduced:

NPO9C46H92 (1)

Stoich.:

ABC9D46E92 (1)

Weight, g/mol:

795.54142

ΔHf, kcal/mol:

-646.76

Dipole, Da:

5.71

IP(EA), eV:

 -9.78(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-3-[hydroxy-[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-octadecoxypropoxy]phosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N

DOS

IR

Vibrations