Geometry & MOs

Info

ID:

214986

PubChem CID:

85083960

Reduced:

ClN8C27H31 (1)

Stoich.:

AB8C27D31 (1)

Weight, g/mol:

662.113874

ΔHf, kcal/mol:

167.57

Dipole, Da:

11.31

IP(EA), eV:

 -8.68(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (5-benzamido-3,4-dihydroxyoxolan-2-yl)methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4)NCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations