Geometry & MOs

Info

ID:	67868
PubChem CID:	46507338
Reduced:	SF2N2O3H18C22 (1)
Stoich.:	AB2C2D3E18F22 (1)
Weight, g/mol:	428.10062
ΔH_f, kcal/mol:	-153.03
Dipole, Da:	3.33
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations