Geometry & MOs

Info

ID:

434110

PubChem CID:

135174268

Reduced:

ON2H34C48 (1)

Stoich.:

AB2C34D48 (1)

Weight, g/mol:

740.058388

ΔHf, kcal/mol:

180.68

Dipole, Da:

3.35

IP(EA), eV:

 -7.9(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[3-[[(2R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(dihydroxyphosphinothioyloxymethyl)-4-fluorothiolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1C(C=CC2=C1C3=CC=CC=C3N2C4=CC=CC(=C4)C5=CC=CC=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC1=C9OC2C1C=CC=C2

DOS

IR

Vibrations