Geometry & MOs

Info

ID:	145364
PubChem CID:	53510378
Reduced:	OS2N3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	399.09577
ΔH_f, kcal/mol:	51.35
Dipole, Da:	6.23
IP(EA), eV:	-9.08(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-fluoro-N-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

C1CN(C(C2=C1SC=C2)C3=CC=CS3)C(=O)NC4=CN=CC=C4

DOS

IR

Vibrations