Geometry & MOs

Info

ID:	59298
PubChem CID:	24778813
Reduced:	NPO8C43H86 (1)
Stoich.:	ABC8D43E86 (1)
Weight, g/mol:	787.609106
ΔH_f, kcal/mol:	-565.55
Dipole, Da:	13.98
IP(EA), eV:	-9.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-octadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC

DOS

IR

Vibrations