Geometry & MOs

Info

ID:	67867
PubChem CID:	46507336
Reduced:	S2F3N3O3H16C18 (1)
Stoich.:	A2B3C3D3E16F18 (1)
Weight, g/mol:	428.10062
ΔH_f, kcal/mol:	-216.23
Dipole, Da:	7.98
IP(EA), eV:	-9.45(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-difluorophenyl)methyl]-2-(2,5-dimethylphenyl)-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2S(=O)(=O)N=C1SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations