Geometry & MOs

Info

ID:

84927

PubChem CID:

49870698

Reduced:

ON4C26H30 (1)

Stoich.:

AB4C26D30 (1)

Weight, g/mol:

1399.208219

ΔHf, kcal/mol:

26.47

Dipole, Da:

7.02

IP(EA), eV:

-8.0(-0.01)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

S-[2-[[(2R,3R,4R,5R)-4-[2-acetylsulfanylethoxy-[[(2R,3R,4R,5R)-4-[2-acetylsulfanylethoxy-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphoryl]oxy-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]phosphoryl]oxy-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-(acetylsulfanylmethoxy)phosphoryl]oxyethyl] ethanethioate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)N3CCN(CC3=O)CCC4=CC=CC=C4)C5=C1C6CCN(C6)C5

DOS

IR

Vibrations