Geometry & MOs

Info

ID:	196686
PubChem CID:	78864748
Reduced:	F3O3N5H20C21 (1)
Stoich.:	A3B3C5D20E21 (1)
Weight, g/mol:	291.09047
ΔH_f, kcal/mol:	-164.98
Dipole, Da:	7.61
IP(EA), eV:	-9.34(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)NC(=O)CCC2=NC(=NO2)C3=CC=NC=C3)C(=O)C(F)(F)F

DOS

IR

Vibrations