Geometry & MOs

Info

ID:

326745

PubChem CID:

126688123

Reduced:

SO5N7C19H21 (1)

Stoich.:

AB5C7D19E21 (1)

Weight, g/mol:

458.137239

ΔHf, kcal/mol:

-76.63

Dipole, Da:

2.87

IP(EA), eV:

 -9.12(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,3R,5R)-3-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-1,2-dihydroxy-6-bicyclo[3.1.0]hexanyl] sulfamate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@H]1NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@]6([C@@H](C6NS(=O)(=O)N)O5)O)O

DOS

IR

Vibrations