Geometry & MOs

Info

ID:	176384
PubChem CID:	76041050
Reduced:	O5C45H86 (1)
Stoich.:	A5B45C86 (1)
Weight, g/mol:	806.569981
ΔH_f, kcal/mol:	-401.38
Dipole, Da:	4.62
IP(EA), eV:	-9.56(0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2-docosa-7,10,13,16,19-pentaenoyloxy-3-hexadec-9-enoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCC=CCCCCCCCC

DOS

IR

Vibrations