Geometry & MOs

Info

ID:

326780

PubChem CID:

126688191

Reduced:

OF4N6H24C29 (1)

Stoich.:

AB4C6D24E29 (1)

Weight, g/mol:

460.116504

ΔHf, kcal/mol:

-70.35

Dipole, Da:

8.1

IP(EA), eV:

 -9.49(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,3R,4S,5S)-3-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-4,5-dihydroxy-2-oxabicyclo[3.1.0]hexan-6-yl] sulfamate

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)(C5=CN=CC=C5)N

DOS

IR

Vibrations