Geometry & MOs

Info

ID:

435162

PubChem CID:

135182855

Reduced:

ClFN6O9C32H34 (1)

Stoich.:

ABC6D9E32F34 (1)

Weight, g/mol:

491.120776

ΔHf, kcal/mol:

-318.87

Dipole, Da:

8.12

IP(EA), eV:

 -9.06(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-hydroxy-3-methyloxolan-2-yl]methoxy]-2-benzylpropanedioic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC)(C(=O)OCC)OC[C@@H]3[C@H](C([C@@H](O3)N4C=NC5=C(N=C(N=C54)Cl)N)F)O

DOS

IR

Vibrations