Geometry & MOs

Info

ID:

426897

PubChem CID:

135154420

Reduced:

ClPO4N7C24H35 (1)

Stoich.:

ABC4D7E24F35 (1)

Weight, g/mol:

596.223623

ΔHf, kcal/mol:

-177.49

Dipole, Da:

3.61

IP(EA), eV:

 -8.65(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propyl 2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-[[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](C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations