Geometry & MOs

Info

ID:	7276
PubChem CID:	71864
Reduced:	ClN3S3O4C15H16 (1)
Stoich.:	AB3C3D4E15F16 (1)
Weight, g/mol:	432.999147
ΔH_f, kcal/mol:	-111.8
Dipole, Da:	7.7
IP(EA), eV:	-9.54(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSCC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl

DOS

IR

Vibrations