Geometry & MOs

Info

ID:

436177

PubChem CID:

135194329

Reduced:

ClN5O7C27H32 (1)

Stoich.:

AB5C7D27E32 (1)

Weight, g/mol:

705.257684

ΔHf, kcal/mol:

-231.53

Dipole, Da:

3.86

IP(EA), eV:

 -9.16(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-benzyl-2-[[(2S,4S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-4-fluorooxolan-2-yl]methoxy]-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=C(N=C(N=C43)Cl)N)OC(=O)C)(C)C

DOS

IR

Vibrations