Geometry & MOs

Info

ID:	154223
PubChem CID:	56313629
Reduced:	SF3O3N4C23H23 (1)
Stoich.:	AB3C3D4E23F23 (1)
Weight, g/mol:	440.172305
ΔH_f, kcal/mol:	-221.27
Dipole, Da:	6.25
IP(EA), eV:	-9.15(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenoxy)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)C(F)(F)F)N4CCOCC4)NC1=S

DOS

IR

Vibrations