Geometry & MOs

Info

ID:

426945

PubChem CID:

135154685

Reduced:

PF4O4N7C24H32 (1)

Stoich.:

AB4C4D7E24F32 (1)

Weight, g/mol:

589.218952

ΔHf, kcal/mol:

-361.55

Dipole, Da:

6.07

IP(EA), eV:

 -9.14(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations