Geometry & MOs

Info

ID:	431354
PubChem CID:	135171429
Reduced:	OSBr2N4C13H16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	449.95476
ΔH_f, kcal/mol:	18.84
Dipole, Da:	3.47
IP(EA), eV:	-8.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CN(C(=C1Br)Br)C2=CSC(=N2)N3C[C@H]4CC[C@@H](C3)O4

DOS

IR

Vibrations