Geometry & MOs

Info

ID:	431438
PubChem CID:	135171518
Reduced:	BrOSN5C12H14 (1)
Stoich.:	ABCD5E12F14 (1)
Weight, g/mol:	404.00732
ΔH_f, kcal/mol:	59.09
Dipole, Da:	6.1
IP(EA), eV:	-8.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(N(C=C1Br)C2=CSC(=N2)N3CCOCC3)C#N

DOS

IR

Vibrations