Geometry & MOs

Info

ID:	22100
PubChem CID:	596005
Reduced:	OSN3C7H7 (2)
Stoich.:	ABC3D7E7 (2)
Weight, g/mol:	362.061966
ΔH_f, kcal/mol:	51.82
Dipole, Da:	5.0
IP(EA), eV:	-8.75(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=CC4=NSN=C43

DOS

IR

Vibrations