Geometry & MOs

Info

ID:	141753
PubChem CID:	52923400
Reduced:	NPO8C46H91 (1)
Stoich.:	ABC8D46E91 (1)
Weight, g/mol:	865.656056
ΔH_f, kcal/mol:	-543.55
Dipole, Da:	8.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752499
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-docosanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCC

DOS

IR

Vibrations