Geometry & MOs

Info

ID:	431366
PubChem CID:	135171441
Reduced:	OSBr2N4H10C11 (1)
Stoich.:	ABC2D4E10F11 (1)
Weight, g/mol:	405.89216
ΔH_f, kcal/mol:	40.12
Dipole, Da:	6.53
IP(EA), eV:	-8.98(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-5-[4-(2,4-dibromoimidazol-1-yl)-1,3-thiazol-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

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C1[C@H]2CN([C@@H]1CO2)C3=NC(=CS3)N4C=NC(=C4Br)Br

DOS

IR

Vibrations