Geometry & MOs

Info

ID:	270943
PubChem CID:	103638883
Reduced:	ClSO2N4C8H15 (1)
Stoich.:	ABC2D4E8F15 (1)
Weight, g/mol:	341.0375
ΔH_f, kcal/mol:	-55.15
Dipole, Da:	9.09
IP(EA), eV:	-10.21(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-hydroxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNS(=O)(=O)CCCCl

DOS

IR

Vibrations