Geometry & MOs

Info

ID:

16734

PubChem CID:

476168

Reduced:

O6N7C21H25 (1)

Stoich.:

A6B7C21D25 (1)

Weight, g/mol:

471.186632

ΔHf, kcal/mol:

-160.53

Dipole, Da:

3.46

IP(EA), eV:

 -8.98(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[C@@H](C(=O)N[C@H]2[C@H]([C@@H](O[C@@H]2C(=O)OC)N3C=NC4=C(N=CN=C43)N)O)N

DOS

IR

Vibrations