Geometry & MOs

Info

ID:	300233
PubChem CID:	121269898
Reduced:	ClF3N3O3H13C18 (1)
Stoich.:	AB3C3D3E13F18 (1)
Weight, g/mol:	407.92788
ΔH_f, kcal/mol:	-192.9
Dipole, Da:	6.82
IP(EA), eV:	-9.54(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(3,5-difluorophenoxy)-2-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol

Drug info:

PubChemData

Smile

CC(=O)N(C1=C(C2=C(C=C1)C(=O)N(C=N2)CC3=CC=CC=C3)Cl)OC(F)(F)F

DOS

IR

Vibrations