Geometry & MOs

Info

ID:	88793
PubChem CID:	49956841
Reduced:	BrFSN3O4H21C24 (1)
Stoich.:	ABCD3E4F21G24 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-123.31
Dipole, Da:	6.08
IP(EA), eV:	-8.92(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-methylphenoxy)propanoylamino]benzamide

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations