Geometry & MOs

Info

ID:	268550
PubChem CID:	103599900
Reduced:	BrClSH12C14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	361.95655
ΔH_f, kcal/mol:	35.75
Dipole, Da:	2.02
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSCC2=CC(=CC=C2)Br)Cl

DOS

IR

Vibrations