Geometry & MOs

Info

ID:

378285

PubChem CID:

134224361

Reduced:

PN6O8C21H25 (1)

Stoich.:

AB6C8D21E25 (1)

Weight, g/mol:

557.178783

ΔHf, kcal/mol:

-288.36

Dipole, Da:

8.4

IP(EA), eV:

 -9.24(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-ynyl (2S)-2-[[[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC=C)NP(=O)(OC[C@@H]1OC[C@@H](O1)N2C=NC3=C2NC(=NC3=O)N)OC4=CC=CC=C4

DOS

IR

Vibrations