Geometry & MOs

Info

ID:	431294
PubChem CID:	135171365
Reduced:	BrSO2N4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	373.96037
ΔH_f, kcal/mol:	-2.47
Dipole, Da:	4.35
IP(EA), eV:	-8.71(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[4-(4-bromo-5-chloroimidazol-1-yl)-1,3-thiazol-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

COC1=NC(=CN1C2=CSC(=N2)N3[C@@H]4CC[C@H]3COC4)Br

DOS

IR

Vibrations