Geometry & MOs

Info

ID:	67866
PubChem CID:	46507324
Reduced:	ClNSF2O3H8C15 (1)
Stoich.:	ABCD2E3F8G15 (1)
Weight, g/mol:	443.058518
ΔH_f, kcal/mol:	-153.83
Dipole, Da:	6.4
IP(EA), eV:	-9.72(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)C2=CNC3=C(C2=O)C=C(C=C3F)Cl)F

DOS

IR

Vibrations