Geometry & MOs

Info

ID:	326806
PubChem CID:	126688234
Reduced:	NF2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	359.069968
ΔH_f, kcal/mol:	-139.44
Dipole, Da:	2.05
IP(EA), eV:	-9.09(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4S,5S)-3-(6-ethylpurin-9-yl)-4-fluoro-5-hydroxy-2-oxabicyclo[3.1.0]hexan-6-yl] sulfamate

Drug info:

PubChemData

Smile

C1CCOC(C1)CN2CC(C2)OC3=C(C=CC=C3F)F

DOS

IR

Vibrations