Geometry & MOs

Info

ID:	431489
PubChem CID:	135171570
Reduced:	FSO2N5C18H20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	526.26687
ΔH_f, kcal/mol:	-25.37
Dipole, Da:	4.29
IP(EA), eV:	-8.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-4-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]phosphanyl]oxy-2-methylbutanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)F)SNC2=CC3=C(N=C2)OCC(N=C3/C=C\N)C

DOS

IR

Vibrations