Geometry & MOs

Info

ID:

426952

PubChem CID:

135154693

Reduced:

PO5F6N7C25H32 (1)

Stoich.:

AB5C6D7E25F32 (1)

Weight, g/mol:

655.210673

ΔHf, kcal/mol:

-521.78

Dipole, Da:

2.48

IP(EA), eV:

 -9.12(-0.83)

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-[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@H](C3=CC=C(C=C3)OC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations