Geometry & MOs

Info

ID:	374398
PubChem CID:	131328303
Reduced:	BrClSF2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	255.996093
ΔH_f, kcal/mol:	-76.39
Dipole, Da:	0.67
IP(EA), eV:	-9.28(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-4-ethoxy-1-benzothiophene-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)SC(=C2C(F)F)CBr

DOS

IR

Vibrations