Geometry & MOs

Info

ID:

426916

PubChem CID:

135154540

Reduced:

ClPO4N7C25H37 (1)

Stoich.:

ABC4D7E25F37 (1)

Weight, g/mol:

601.238939

ΔHf, kcal/mol:

-183.36

Dipole, Da:

3.02

IP(EA), eV:

 -9.07(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@](=O)(NC(C)(C)C3=CC=C(C=C3)Cl)NC(C)(C)C(=O)OC(C)C

DOS

IR

Vibrations