Geometry & MOs

Info

ID:	431293
PubChem CID:	135171364
Reduced:	OSBr2N4C15H20 (1)
Stoich.:	ABC2D4E15F20 (1)
Weight, g/mol:	370.00991
ΔH_f, kcal/mol:	-7.1
Dipole, Da:	3.98
IP(EA), eV:	-8.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(N(C=C1Br)C2=CSC(=N2)N3CCOC4C3CCCC4)Br

DOS

IR

Vibrations