Geometry & MOs

Info

ID:

326746

PubChem CID:

126688124

Reduced:

SO5N6C20H22 (1)

Stoich.:

AB5C6D20E22 (1)

Weight, g/mol:

444.121589

ΔHf, kcal/mol:

-94.04

Dipole, Da:

3.85

IP(EA), eV:

 -8.99(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,3R,4R)-3-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-4-hydroxy-2-oxabicyclo[3.1.0]hexan-6-yl] sulfamate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@H]1NC3=C4C(=NC=N3)N(C=N4)[C@@H]5C[C@@H]6C([C@@]6([C@H]5O)O)OS(=O)(=O)N

DOS

IR

Vibrations