Geometry & MOs

Info

ID:

79510

PubChem CID:

49786946

Reduced:

SN2O3C18H28 (1)

Stoich.:

AB2C3D18E28 (1)

Weight, g/mol:

1189.241684

ΔHf, kcal/mol:

-133.64

Dipole, Da:

7.05

IP(EA), eV:

 -9.32(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1(CCCN1CC2=CC=C(C=C2)S(=O)(=O)C)C

DOS

IR

Vibrations