Geometry & MOs

Info

ID:

214670

PubChem CID:

85083376

Reduced:

BrSN3O10C20H20 (1)

Stoich.:

ABC3D10E20F20 (1)

Weight, g/mol:

571.09139

ΔHf, kcal/mol:

-352.94

Dipole, Da:

7.08

IP(EA), eV:

 -10.22(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(2-amino-6,8-dioxo-7-prop-2-enyl-5H-purin-9-yl)-4-bromo-2-[(2,4,4-trimethyl-5-oxo-1,3-dioxolan-2-yl)oxymethyl]oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C1(C#N)OS(=O)(=O)C)COC(=O)C2=CC=CC=C2)N3CC(C(=O)NC3=O)Br

DOS

IR

Vibrations