Geometry & MOs

Info

ID:

141743

PubChem CID:

52923192

Reduced:

NPO8C48H89 (1)

Stoich.:

ABC8D48E89 (1)

Weight, g/mol:

835.609106

ΔHf, kcal/mol:

-368.78

Dipole, Da:

2.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.774792

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations