Geometry & MOs

Info

ID:

378207

PubChem CID:

134224283

Reduced:

PO6N7C30H38 (1)

Stoich.:

AB6C7D30E38 (1)

Weight, g/mol:

553.220254

ΔHf, kcal/mol:

-180.51

Dipole, Da:

3.42

IP(EA), eV:

 -8.45(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl (2S)-2-[[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@@H](C)C(=O)C(C)C)N=CP(=O)(OC[C@H]1C[C@H](C=C1)N2C=NC3=C(N=C(N=C32)N)NC4CC4)OC5=CC=CC=C5

DOS

IR

Vibrations