Geometry & MOs

Info

ID:	67987
PubChem CID:	46507552
Reduced:	ClSO2N4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	422.093643
ΔH_f, kcal/mol:	0.11
Dipole, Da:	7.97
IP(EA), eV:	-8.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenyl)-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=NNN=C2NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations