Geometry & MOs

Info

ID:	137724
PubChem CID:	52253120
Reduced:	ClSN2O2F3C12H12 (1)
Stoich.:	ABC2D2E3F12G12 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-234.08
Dipole, Da:	7.8
IP(EA), eV:	-9.46(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)SCC(=O)NCC(=O)NCC(F)(F)F)Cl

DOS

IR

Vibrations