Geometry & MOs

Info

ID:

141765

PubChem CID:

52925821

Reduced:

NPO10C46H84 (1)

Stoich.:

ABC10D46E84 (1)

Weight, g/mol:

745.489385

ΔHf, kcal/mol:

-581.57

Dipole, Da:

2.12

IP(EA), eV:

 -9.41(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-3-[hydroxy-[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-pentadecanoyloxypropoxy]phosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC

DOS

IR

Vibrations