Geometry & MOs

Info

ID:	431441
PubChem CID:	135171521
Reduced:	NOSC5H8 (2)
Stoich.:	ABCD5E8 (2)
Weight, g/mol:	404.00732
ΔH_f, kcal/mol:	-91.29
Dipole, Da:	4.56
IP(EA), eV:	-8.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-8-[4-(4-bromo-5-chloro-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

CC(C)(/C=C/N)SC(=O)N[C@@H]1CCSC1=O

DOS

IR

Vibrations