Geometry & MOs

Info

ID:	326945
PubChem CID:	126688744
Reduced:	ClSF3O4N7C16H19 (1)
Stoich.:	ABC3D4E7F16G19 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-237.95
Dipole, Da:	5.27
IP(EA), eV:	-8.58(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6R)-3-(benzylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)N[C@H]3COC4C3OC[C@H]4NS(=O)(=O)CC(F)(F)F)Cl

DOS

IR

Vibrations