Geometry & MOs

Info

ID:	141727
PubChem CID:	52922303
Reduced:	NPO8C37H75 (1)
Stoich.:	ABC8D37E75 (1)
Weight, g/mol:	689.499555
ΔH_f, kcal/mol:	-521.96
Dipole, Da:	4.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752240
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-pentadecanoyloxy-2-[(Z)-tetradec-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)CCCCCCCCCCCCC

DOS

IR

Vibrations