Geometry & MOs

Info

ID:

426920

PubChem CID:

135154550

Reduced:

PO5N7C25H38 (1)

Stoich.:

AB5C7D25E38 (1)

Weight, g/mol:

601.238939

ΔHf, kcal/mol:

-209.42

Dipole, Da:

3.04

IP(EA), eV:

 -8.79(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propyl 2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(1S)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)N[C@@H](C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations