Geometry & MOs

Info

ID:	88811
PubChem CID:	49956990
Reduced:	BrSO3N4C28H29 (1)
Stoich.:	ABC3D4E28F29 (1)
Weight, g/mol:	454.169271
ΔH_f, kcal/mol:	-31.78
Dipole, Da:	6.65
IP(EA), eV:	-8.85(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-3-[2-(4-phenylphenoxy)propanoylamino]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

DOS

IR

Vibrations