Geometry & MOs

Info

ID:	286
PubChem CID:	2502
Reduced:	NPO7C28H59 (1)
Stoich.:	ABC7D28E59 (1)
Weight, g/mol:	552.402915
ΔH_f, kcal/mol:	-444.0
Dipole, Da:	6.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752139
Charge, e:	1

Chem-info

IUPAC name:

2-[(2-acetyloxy-3-octadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C

DOS

IR

Vibrations