Geometry & MOs

Info

ID:	138402
PubChem CID:	52360947
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	354.09689
ΔH_f, kcal/mol:	-58.05
Dipole, Da:	3.39
IP(EA), eV:	-9.18(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CS1)N(C)CC(=O)N2CCOCC2

DOS

IR

Vibrations