Geometry & MOs

Info

ID:	44879
PubChem CID:	10506305
Reduced:	OSN3C13H17 (2)
Stoich.:	ABC3D13E17 (2)
Weight, g/mol:	528.388064
ΔH_f, kcal/mol:	18.21
Dipole, Da:	7.0
IP(EA), eV:	-8.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(2R)-2-acetyloxy-3-(1,2-ditritiohexadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCC/C=C/C1(SCC(=O)N1NC2=NN=C(C3=CC=CC=C23)NN4C(SCC4=O)(/C=C/CCC)C)C

DOS

IR

Vibrations