Geometry & MOs

Info

ID:	431443
PubChem CID:	135171523
Reduced:	SBr2O2N4C11H12 (1)
Stoich.:	AB2C2D4E11F12 (1)
Weight, g/mol:	404.00732
ΔH_f, kcal/mol:	-13.63
Dipole, Da:	6.44
IP(EA), eV:	-9.18(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=CS2)N3C(=NC(=C3Br)Br)CO

DOS

IR

Vibrations