Geometry & MOs

Info

ID:

178453

PubChem CID:

76331672

Reduced:

FO3N5H16C28 (1)

Stoich.:

AB3C5D16E28 (1)

Weight, g/mol:

520.275781

ΔHf, kcal/mol:

24.03

Dipole, Da:

10.63

IP(EA), eV:

 -9.52(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C/C(=N\N1C(=C(C(=C(C1=O)C#N)C2=CC=C(C=C2)F)C#N)N)/C3=CC4=C(C=CC5=CC=CC=C54)OC3=O

DOS

IR

Vibrations