Geometry & MOs

Info

ID:

312824

PubChem CID:

126608944

Reduced:

N3O4C28H31 (1)

Stoich.:

A3B4C28D31 (1)

Weight, g/mol:

1023.186084

ΔHf, kcal/mol:

-123.36

Dipole, Da:

3.11

IP(EA), eV:

 -9.0(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy(3-sulfanylpropoxy)phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)C)N3C(=O)C=CC3=O)CC)C)N4C(=O)CC(C4=O)NC

DOS

IR

Vibrations