Geometry & MOs

Info

ID:

395006

PubChem CID:

135024400

Reduced:

NC15H21 (1)

Stoich.:

AB15C21 (1)

Weight, g/mol:

704.146905

ΔHf, kcal/mol:

31.32

Dipole, Da:

1.7

IP(EA), eV:

-9.31(0.33)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2R,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CCCCC#CC(CCC1=CC=CC=C1)N

DOS

IR

Vibrations