Geometry & MOs

Info

ID:

436178

PubChem CID:

135194332

Reduced:

ClFN5O9C33H41 (1)

Stoich.:

ABC5D9E33F41 (1)

Weight, g/mol:

544.158558

ΔHf, kcal/mol:

-381.15

Dipole, Da:

5.37

IP(EA), eV:

 -9.4(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[(2S,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methoxy]-2-benzyl-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=CC=C1)(C(=O)C)OC[C@@H]2C[C@@H]([C@@H](O2)N3C=NC4=C3N=C(N=C4N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cl)F

DOS

IR

Vibrations