Geometry & MOs

Info

ID:

436188

PubChem CID:

135194407

Reduced:

FCl2N7O10C38H50 (1)

Stoich.:

AB2C7D10E38F50 (1)

Weight, g/mol:

613.251456

ΔHf, kcal/mol:

-452.15

Dipole, Da:

8.91

IP(EA), eV:

 -9.02(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-3,4-dimethyloxolan-3-yl] tert-butyl carbonate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=C(C=C1)NC(=O)NCCCCl)(C(=O)C)OC[C@@H]2[C@H](C([C@@H](O2)N3C=NC4=C3N=C(N=C4N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cl)F)C

DOS

IR

Vibrations