Geometry & MOs

Info

ID:

431207

PubChem CID:

135171277

Reduced:

ClO2N5C20H24 (1)

Stoich.:

AB2C5D20E24 (1)

Weight, g/mol:

672.157076

ΔHf, kcal/mol:

-16.45

Dipole, Da:

2.67

IP(EA), eV:

 -8.21(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(6R,10S,15R)-17-(2-amino-6-oxo-3H-purin-9-yl)-3,12-dihydroxy-1-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-5-methylimidazol-4-yl]-1-methylideneguanidine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CCC(CC2)OC3=CC4=C(C=C3)N=CN(C4)C

DOS

IR

Vibrations