Geometry & MOs

Info

ID:	431364
PubChem CID:	135171439
Reduced:	OSBr2N4C17H18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	449.95476
ΔH_f, kcal/mol:	28.67
Dipole, Da:	1.51
IP(EA), eV:	-8.18(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-8-[4-(2,4-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

Smile

CN1C(N(C=C1Br)C2=CSC(=N2)N3CCOC(C3)C4=CC=CC=C4)Br

DOS

IR

Vibrations