Geometry & MOs

Info

ID:	300202
PubChem CID:	121269848
Reduced:	BrN2O2F3H6C7 (1)
Stoich.:	AB2C2D3E6F7 (1)
Weight, g/mol:	386.93763
ΔH_f, kcal/mol:	-207.18
Dipole, Da:	1.6
IP(EA), eV:	-8.75(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(3,5-difluorophenoxy)-1,1-dioxo-1-benzothiophen-3-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=N1)OC(F)(F)F)N)Br

DOS

IR

Vibrations