Geometry & MOs

Info

ID:

427380

PubChem CID:

135157915

Reduced:

OH5C6 (4)

Stoich.:

AB5C6 (4)

Weight, g/mol:

582.236713

ΔHf, kcal/mol:

-101.05

Dipole, Da:

0.93

IP(EA), eV:

 -8.59(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-4-fluoro-2-[[[[(2S)-1-hydroxy-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyl-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-3-ol

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1C2=C(C=C(C=C2)CC(=O)OC)C3=CC=CC4=C3C1=CC=C4

DOS

IR

Vibrations