Geometry & MOs

Info

ID:

426900

PubChem CID:

135154460

Reduced:

PO5N7C25H38 (1)

Stoich.:

AB5C7D25E38 (1)

Weight, g/mol:

615.254589

ΔHf, kcal/mol:

-211.5

Dipole, Da:

6.9

IP(EA), eV:

 -8.67(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propyl 2-[[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[methyl-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)N[C@H](C)C3=CC=CC=C3OC

DOS

IR

Vibrations