Geometry & MOs

Info

ID:	67978
PubChem CID:	46507538
Reduced:	ClN3O3H22C25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	440.120607
ΔH_f, kcal/mol:	-49.05
Dipole, Da:	0.99
IP(EA), eV:	-8.38(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2NC(=O)C3=CC=C(C=C3)Cl)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations