Geometry & MOs

Info

ID:	372951
PubChem CID:	131307401
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	331.90041
ΔH_f, kcal/mol:	12.12
Dipole, Da:	6.23
IP(EA), eV:	-8.65(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-formyl-2-iodo-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CN2)C(C)(C#N)O

DOS

IR

Vibrations