Geometry & MOs

Info

ID:	141733
PubChem CID:	52922309
Reduced:	NPO8C40H79 (1)
Stoich.:	ABC8D40E79 (1)
Weight, g/mol:	729.530855
ΔH_f, kcal/mol:	-522.19
Dipole, Da:	9.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754324
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations