Geometry & MOs

Info

ID:	141729
PubChem CID:	52922305
Reduced:	NPO8C37H73 (1)
Stoich.:	ABC8D37E73 (1)
Weight, g/mol:	703.515205
ΔH_f, kcal/mol:	-507.86
Dipole, Da:	1.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753549
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-pentadecanoyloxy-2-[(Z)-pentadec-9-enoyl]oxypropyl] 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\CCCC

DOS

IR

Vibrations