Geometry & MOs

Info

ID:

7411

PubChem CID:

72477

Reduced:

O6N7C20H23 (1)

Stoich.:

A6B7C20D23 (1)

Weight, g/mol:

457.170981

ΔHf, kcal/mol:

-161.72

Dipole, Da:

5.54

IP(EA), eV:

 -9.08(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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)O)N3C=NC4=C(N=CN=C43)N)O)N

DOS

IR

Vibrations