Geometry & MOs

Info

ID:	67877
PubChem CID:	46507349
Reduced:	S2N3O3C15H21 (1)
Stoich.:	A2B3C3D15E21 (1)
Weight, g/mol:	424.125692
ΔH_f, kcal/mol:	-101.78
Dipole, Da:	7.48
IP(EA), eV:	-9.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethylphenyl)methyl]-2-(3-fluoro-4-methylphenyl)-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one

Drug info:

PubChemData

Smile

CCCCNC(=O)CSC1=NS(=O)(=O)C2=CC=CC=C2N1CC

DOS

IR

Vibrations