Geometry & MOs

Info

ID:	374483
PubChem CID:	131330265
Reduced:	ClINO2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	297.96631
ΔH_f, kcal/mol:	-23.34
Dipole, Da:	4.56
IP(EA), eV:	-10.1(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C(=C1)I)C#N)Cl

DOS

IR

Vibrations