Geometry & MOs

Info

ID:	170752
PubChem CID:	75276717
Reduced:	FSN3O5C22H38 (1)
Stoich.:	ABC3D5E22F38 (1)
Weight, g/mol:	507.223692
ΔH_f, kcal/mol:	-295.85
Dipole, Da:	6.42
IP(EA), eV:	-9.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;12-ethylsulfanyldodecanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)O.C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F

DOS

IR

Vibrations