Geometry & MOs

Info

ID:

436162

PubChem CID:

135194275

Reduced:

ClFN6O8H26C28 (1)

Stoich.:

ABC6D8E26F28 (1)

Weight, g/mol:

517.172811

ΔHf, kcal/mol:

-275.14

Dipole, Da:

4.54

IP(EA), eV:

 -9.33(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CC(C(=O)O)(C(=O)O)OC[C@@H]3[C@H](C([C@@H](O3)N4C=NC5=C(N=C(N=C54)Cl)N)F)O

DOS

IR

Vibrations