Geometry & MOs

Info

ID:	140279
PubChem CID:	52674150
Reduced:	ClFN3O3C22H27 (1)
Stoich.:	ABC3D3E22F27 (1)
Weight, g/mol:	344.192235
ΔH_f, kcal/mol:	-143.85
Dipole, Da:	5.89
IP(EA), eV:	-8.85(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)F)N2CCN(CC2)C[C@@H](COC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations