Geometry & MOs

Info

ID:	431439
PubChem CID:	135171519
Reduced:	BrClOSN4C14H18 (1)
Stoich.:	ABCDE4F14G18 (1)
Weight, g/mol:	449.95476
ΔH_f, kcal/mol:	102.5
Dipole, Da:	6.49
IP(EA), eV:	-8.2(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-8-[4-(4,5-dibromo-3-methyl-2H-imidazol-1-yl)-1,3-thiazol-2-yl]-1-methyl-3-oxa-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

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C[C@@]12CC[C@@H](N1C3=NC(=CS3)N4CN(C(=C4Br)Cl)C)COC2

DOS

IR

Vibrations