Geometry & MOs

Info

ID:	249254
PubChem CID:	103088093
Reduced:	FSCl2N2O2C11H11 (1)
Stoich.:	ABC2D2E2F11G11 (1)
Weight, g/mol:	287.031768
ΔH_f, kcal/mol:	-92.75
Dipole, Da:	1.55
IP(EA), eV:	-10.36(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(4-methylsulfanylbutyl)-2,1,3-benzothiadiazol-4-amine

Drug info:

PubChemData

Smile

CC(C)(CNS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl)C#N

DOS

IR

Vibrations