Geometry & MOs

Info

ID:	139458
PubChem CID:	52533725
Reduced:	SN2F3O3C21H21 (1)
Stoich.:	AB2C3D3E21F21 (1)
Weight, g/mol:	389.096476
ΔH_f, kcal/mol:	-235.4
Dipole, Da:	3.84
IP(EA), eV:	-8.87(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1CC2=NC3=CC=CC=C3N2C[C@@H](C4=CC=CC=C4C(F)(F)F)O

DOS

IR

Vibrations