Geometry & MOs

Info

ID:	260830
PubChem CID:	103206435
Reduced:	ClN2S2F3O4C9H10 (1)
Stoich.:	AB2C2D3E4F9G10 (1)
Weight, g/mol:	288.133714
ΔH_f, kcal/mol:	-299.61
Dipole, Da:	10.03
IP(EA), eV:	-9.83(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)CCOCC(F)(F)F)S(=O)(=O)Cl

DOS

IR

Vibrations