Geometry & MOs

Info

ID:	30279
PubChem CID:	841079
Reduced:	SN2O2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	312.071468
ΔH_f, kcal/mol:	-3.17
Dipole, Da:	5.42
IP(EA), eV:	-8.69(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NN=CC2=CC=CC=C2O

DOS

IR

Vibrations