Geometry & MOs

Info

ID:

141758

PubChem CID:

52924601

Reduced:

NPO8C47H82 (1)

Stoich.:

ABC8D47E82 (1)

Weight, g/mol:

805.489385

ΔHf, kcal/mol:

-480.47

Dipole, Da:

3.86

IP(EA), eV:

-9.34(0.44)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-2-amino-3-[[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

DOS

IR

Vibrations