Geometry & MOs

Info

ID:

145216

PubChem CID:

53479599

Reduced:

NPO8C41H72 (1)

Stoich.:

ABC8D41E72 (1)

Weight, g/mol:

1424.972227

ΔHf, kcal/mol:

-448.21

Dipole, Da:

4.08

IP(EA), eV:

-9.47(-0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2R)-3-[[3-[[(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC

DOS

IR

Vibrations