Geometry & MOs

Info

ID:

145215

PubChem CID:

53479444

Reduced:

NPO8C50H95 (1)

Stoich.:

ABC8D50E95 (1)

Weight, g/mol:

737.499555

ΔHf, kcal/mol:

-517.06

Dipole, Da:

4.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752124

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations