Geometry & MOs

Info

ID:	86301
PubChem CID:	49883973
Reduced:	S2N4O5H24C26 (1)
Stoich.:	A2B4C5D24E26 (1)
Weight, g/mol:	359.01619
ΔH_f, kcal/mol:	-84.55
Dipole, Da:	1.08
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)ethanone;chloride

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)SC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations