Geometry & MOs

Info

ID:	36744
PubChem CID:	8012057
Reduced:	OSN2H5C8 (2)
Stoich.:	ABC2D5E8 (2)
Weight, g/mol:	339.108228
ΔH_f, kcal/mol:	48.75
Dipole, Da:	1.61
IP(EA), eV:	-8.8(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=NC(=CS3)C4=CC=CS4

DOS

IR

Vibrations