Geometry & MOs

Info

ID:

426906

PubChem CID:

135154479

Reduced:

PF3O4N8C25H32 (1)

Stoich.:

AB3C4D8E25F32 (1)

Weight, g/mol:

596.223623

ΔHf, kcal/mol:

-287.28

Dipole, Da:

7.24

IP(EA), eV:

 -9.2(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propyl 2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-[[(1R)-1-(4-cyanophenyl)-2,2,2-trifluoroethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)(C)N[P@@](=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)N[C@H](C3=CC=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations