Geometry & MOs

Info

ID:	431365
PubChem CID:	135171440
Reduced:	OSBr2N4C14H18 (1)
Stoich.:	ABC2D4E14F18 (1)
Weight, g/mol:	405.89216
ΔH_f, kcal/mol:	84.08
Dipole, Da:	1.93
IP(EA), eV:	-8.16(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C[C@@]12CC[C@@H](N1C3=NC(=CS3)N4C=C(N(C4Br)C)Br)COC2

DOS

IR

Vibrations