Geometry & MOs

Info

ID:	89346
PubChem CID:	49960604
Reduced:	BrClN3O3C17H17 (1)
Stoich.:	ABC3D3E17F17 (1)
Weight, g/mol:	465.172228
ΔH_f, kcal/mol:	-68.75
Dipole, Da:	5.45
IP(EA), eV:	-9.2(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(4-phenylphenoxy)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC(=O)NNC(=O)NC2=CC(=CC=C2)Cl)Br

DOS

IR

Vibrations