Geometry & MOs

Info

ID:	431371
PubChem CID:	135171446
Reduced:	BrClOSN4C12H12 (1)
Stoich.:	ABCDE4F12G12 (1)
Weight, g/mol:	332.026538
ΔH_f, kcal/mol:	30.95
Dipole, Da:	7.3
IP(EA), eV:	-8.9(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-8-[4-(4,5-dichloro-1,2-dihydroimidazol-3-yl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

C1C[C@H]2CN(C[C@@H]1O2)C3=NC(=CS3)N4C=NC(=C4Br)Cl

DOS

IR

Vibrations