Geometry & MOs

Info

ID:

426928

PubChem CID:

135154578

Reduced:

PF3O4N7C25H35 (1)

Stoich.:

AB3C4D7E25F35 (1)

Weight, g/mol:

585.244024

ΔHf, kcal/mol:

-336.44

Dipole, Da:

1.57

IP(EA), eV:

 -8.86(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propyl 2-[[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)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)C(F)(F)F

DOS

IR

Vibrations