Geometry & MOs

Info

ID:

184602

PubChem CID:

77182551

Reduced:

N3O6H23C25 (1)

Stoich.:

A3B6C23D25 (1)

Weight, g/mol:

707.27915

ΔHf, kcal/mol:

-146.05

Dipole, Da:

3.09

IP(EA), eV:

 -8.53(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[4-[2-(3-aminopropylcarbamoyl)-6-(2,2-diphenylethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]pyrazol-4-yl]methyl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C=CC(=O)NCC3CN(C(=O)O3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations