Geometry & MOs

Info

ID:	373576
PubChem CID:	131317468
Reduced:	ClINSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	303.89604
ΔH_f, kcal/mol:	71.98
Dipole, Da:	3.19
IP(EA), eV:	-9.09(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-(chloromethyl)-1-benzothiophene-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)CC#N)I)CCl

DOS

IR

Vibrations