Geometry & MOs

Info

ID:	373501
PubChem CID:	131316219
Reduced:	BrFOSH10C11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	287.96198
ΔH_f, kcal/mol:	-52.58
Dipole, Da:	4.22
IP(EA), eV:	-8.45(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-3-ethoxy-2-fluoro-1-benzothiophene

Drug info:

PubChemData

Smile

CCOC1=C(C2=C(C=C1)SC=C2F)CBr

DOS

IR

Vibrations