Geometry & MOs

Info

ID:	311016
PubChem CID:	126588818
Reduced:	NSO2F3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	393.191564
ΔH_f, kcal/mol:	-198.11
Dipole, Da:	3.58
IP(EA), eV:	-9.02(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2F)NC(=S)OC)C(F)F

DOS

IR

Vibrations