Geometry & MOs

Info

ID:	172572
PubChem CID:	75526057
Reduced:	ClN5C17H26 (1)
Stoich.:	AB5C17D26 (1)
Weight, g/mol:	409.160617
ΔH_f, kcal/mol:	32.13
Dipole, Da:	4.55
IP(EA), eV:	-8.59(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(=C1CNCCC2=CN3CCCCC3=N2)Cl)C

DOS

IR

Vibrations