Geometry & MOs

Info

ID:	88817
PubChem CID:	49957002
Reduced:	FSN3O4H24C29 (1)
Stoich.:	ABC3D4E24F29 (1)
Weight, g/mol:	390.05791
ΔH_f, kcal/mol:	-93.55
Dipole, Da:	9.78
IP(EA), eV:	-8.88(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCOC2=CC=CC=C2C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations