Geometry & MOs

Info

ID:

426901

PubChem CID:

135154470

Reduced:

PF3O5N7C26H37 (1)

Stoich.:

AB3C5D7E26F37 (1)

Weight, g/mol:

615.254589

ΔHf, kcal/mol:

-374.52

Dipole, Da:

3.05

IP(EA), eV:

 -9.03(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propyl 2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-[methyl-[1-[4-(trifluoromethoxy)phenyl]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)[C@H](C)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations