Geometry & MOs

Info

ID:	141725
PubChem CID:	52922273
Reduced:	NPO8C41H81 (1)
Stoich.:	ABC8D41E81 (1)
Weight, g/mol:	691.515205
ΔH_f, kcal/mol:	-527.53
Dipole, Da:	5.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755061
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-pentadecanoyloxy-2-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations