Geometry & MOs

Info

ID:

219842

PubChem CID:

85164952

Reduced:

N5O6C33H43 (1)

Stoich.:

A5B6C33D43 (1)

Weight, g/mol:

605.248874

ΔHf, kcal/mol:

-244.52

Dipole, Da:

8.73

IP(EA), eV:

 -9.04(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[3-benzoyloxy-5-[2-(2-methylpropanoylamino)-6-oxo-5H-purin-9-yl]oxolan-2-yl]methoxy-oxido-oxophosphanium;triethylazanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)C1CC(=O)C2=C(N1)CN(CC2)C(=O)C3CC(=O)C4=C(N3)C(CCC4)CC5=CC=CC=C5

DOS

IR

Vibrations