Geometry & MOs

Info

ID:

232928

PubChem CID:

87577712

Reduced:

ClFO2S2N3C21H21 (1)

Stoich.:

ABC2D2E3F21G21 (1)

Weight, g/mol:

1319.796891

ΔHf, kcal/mol:

-60.41

Dipole, Da:

0.89

IP(EA), eV:

 -9.4(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(6-amino-8-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2S,3S,5R)-5-(6-amino-8-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]-bis[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxy]methoxy]-hydroxyphosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)(C)CN(CC1=CC(=C(S1)SC2=CC(=NC=C2)Cl)C3=C(N=CC=C3)F)C(=O)O

DOS

IR

Vibrations