Geometry & MOs

Info

ID:	431405
PubChem CID:	135171480
Reduced:	ClON3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	388.00272
ΔH_f, kcal/mol:	3.3
Dipole, Da:	2.08
IP(EA), eV:	-9.82(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=NNC2=O)N=C1Cl

DOS

IR

Vibrations