Geometry & MOs

Info

ID:	327027
PubChem CID:	126688885
Reduced:	OF4N5H27C32 (1)
Stoich.:	AB4C5D27E32 (1)
Weight, g/mol:	327.06374
ΔH_f, kcal/mol:	-81.84
Dipole, Da:	2.91
IP(EA), eV:	-8.94(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,5S)-5-hydroxy-3-(6-methylpurin-9-yl)-2-oxabicyclo[3.1.0]hexan-6-yl] sulfamate

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC=CC=C2)C3=CC(=C(C=C3)F)CC(=O)C4=CC(=NN4C5=CC6=C(C=C5)C=CN=C6N)C(F)(F)F

DOS

IR

Vibrations