Geometry & MOs

Info

ID:	47254
PubChem CID:	10530964
Reduced:	BrNaS2N6O6H12C17 (1)
Stoich.:	ABC2D6E6F12G17 (1)
Weight, g/mol:	563.421537
ΔH_f, kcal/mol:	-95.37
Dipole, Da:	8.99
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(8-(18F)fluoranyloctanoyloxy)-3-phenylmethoxypropyl] hexadecanoate

Drug info:

PubChemData

Smile

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)C(=O)[O-])/C=C\C4=CC(=NO4)Br.[Na+]

DOS

IR

Vibrations