Geometry & MOs

Info

ID:	374484
PubChem CID:	131330274
Reduced:	BrSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	297.96631
ΔH_f, kcal/mol:	-58.36
Dipole, Da:	4.58
IP(EA), eV:	-9.12(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-5-ethyl-1-benzothiophene-6-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=C1CBr)SC=C2)C(=O)O

DOS

IR

Vibrations