Geometry & MOs

Info

ID:

141757

PubChem CID:

52924600

Reduced:

NPO8C47H86 (1)

Stoich.:

ABC8D47E86 (1)

Weight, g/mol:

819.577806

ΔHf, kcal/mol:

-510.01

Dipole, Da:

4.49

IP(EA), eV:

 -9.45(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN

DOS

IR

Vibrations