Geometry & MOs

Info

ID:

163561

PubChem CID:

58034950

Reduced:

ClF3N3O5H19C28 (1)

Stoich.:

AB3C3D5E19F28 (1)

Weight, g/mol:

684.349615

ΔHf, kcal/mol:

-255.33

Dipole, Da:

6.79

IP(EA), eV:

 -9.03(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R,2R,3S,4S)-4-[6-(2,2-diphenylethylamino)-2-[(3R)-3-[[(3S)-pyrrolidin-3-yl]carbamoylamino]pyrrolidin-1-yl]purin-9-yl]-2,3-dihydroxycyclopentyl]carbamate

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)Cl)C2=CN=C(C=C2)C(=O)C3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4OC(F)(F)F)C(=O)O

DOS

IR

Vibrations