Geometry & MOs

Info

ID:	431355
PubChem CID:	135171430
Reduced:	OSBr2N4C14H18 (1)
Stoich.:	ABC2D4E14F18 (1)
Weight, g/mol:	404.00732
ΔH_f, kcal/mol:	-8.7
Dipole, Da:	1.86
IP(EA), eV:	-8.13(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-[4-(5-bromo-4-chloro-3-methyl-2H-imidazol-1-yl)-1,3-thiazol-2-yl]-3-oxa-9-azabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

CN1C(N(C=C1Br)C2=CSC(=N2)N3[C@@H]4CCC[C@H]3COC4)Br

DOS

IR

Vibrations