Geometry & MOs

Info

ID:

388879

PubChem CID:

134990509

Reduced:

N4O5C24H30 (2)

Stoich.:

A4B5C24D30 (2)

Weight, g/mol:

678.207427

ΔHf, kcal/mol:

-379.69

Dipole, Da:

13.16

IP(EA), eV:

 -8.75(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-dibenzoyloxy-5-(2,6-diacetamidopurin-9-yl)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations