Geometry & MOs

Info

ID:	157790
PubChem CID:	56437265
Reduced:	FSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	360.166077
ΔH_f, kcal/mol:	-88.94
Dipole, Da:	7.56
IP(EA), eV:	-8.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]pentanamide

Drug info:

PubChemData

Smile

CN1C=CN=C1COC2=CC=C(C=C2)NC(=O)CSCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations