Geometry & MOs

Info

ID:

178679

PubChem CID:

76368569

Reduced:

N2O3C27H36 (2)

Stoich.:

A2B3C27D36 (2)

Weight, g/mol:

525.233582

ΔHf, kcal/mol:

-83.78

Dipole, Da:

11.2

IP(EA), eV:

 -8.22(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(2-amino-6-oxo-5H-purin-9-yl)-N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydroxyoxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=C(C(=C(N5)C=C1N2)C(CCCC(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O)C)N4)C=O)CCC(=O)O)CCC(=O)O)C)C=C

DOS

IR

Vibrations