Geometry & MOs

Info

ID:	447755
PubChem CID:	135285357
Reduced:	OSCl2F3N6C23H29 (1)
Stoich.:	ABC2D3E6F23G29 (1)
Weight, g/mol:	636.496816
ΔH_f, kcal/mol:	-171.99
Dipole, Da:	8.44
IP(EA), eV:	-8.29(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(3-hexacosanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3CC4CCN(C4C3)C5=CC=C(C=C5)C(F)(F)F.Cl.Cl

DOS

IR

Vibrations