Geometry & MOs

Info

ID:	300234
PubChem CID:	121269905
Reduced:	BrSF3O4H8C14 (1)
Stoich.:	ABC3D4E8F14 (1)
Weight, g/mol:	360.007943
ΔH_f, kcal/mol:	-238.25
Dipole, Da:	3.61
IP(EA), eV:	-10.1(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-5-(3,5-difluorophenoxy)-1,1-dioxo-1-benzothiophen-3-one

Drug info:

PubChemData

Smile

C1=CC2=C(C(C(S2(=O)=O)F)O)C(=C1OC3=CC(=CC(=C3)F)F)Br

DOS

IR

Vibrations