Geometry & MOs

Info

ID:	166
PubChem CID:	2222
Reduced:	NPO7C44H82 (1)
Stoich.:	ABC7D44E82 (1)
Weight, g/mol:	767.582891
ΔH_f, kcal/mol:	-436.37
Dipole, Da:	12.51
IP(EA), eV:	-9.29(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hexadecoxy-2-icosa-5,8,11,14-tetraenoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC

DOS

IR

Vibrations