Geometry & MOs

Info

ID:

426951

PubChem CID:

135154691

Reduced:

PO4N7C25H38 (1)

Stoich.:

AB4C7D25E38 (1)

Weight, g/mol:

655.210673

ΔHf, kcal/mol:

-176.4

Dipole, Da:

1.11

IP(EA), eV:

 -9.07(-0.57)

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

DOS

IR

Vibrations