Geometry & MOs

Info

ID:	336209
PubChem CID:	127255216
Reduced:	ClON6C12H15 (1)
Stoich.:	ABC6D12E15 (1)
Weight, g/mol:	401.152161
ΔH_f, kcal/mol:	50.2
Dipole, Da:	3.96
IP(EA), eV:	-9.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-(3-oxopiperazin-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=CN=C(C=C1)Cl)N2C=NN=N2

DOS

IR

Vibrations