Geometry & MOs

Info

ID:

59280

PubChem CID:

24775874

Reduced:

ClPN3O10C21H25 (1)

Stoich.:

ABC3D10E21F25 (1)

Weight, g/mol:

520.147149

ΔHf, kcal/mol:

-445.39

Dipole, Da:

5.9

IP(EA), eV:

 -9.41(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[[(1R,3R,4R,7R)-3-(6-aminopurin-9-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@H]([C@](O2)(CO3)COP(=O)(N[C@@H](C)C(=O)OC)OC4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations