Geometry & MOs

Info

ID:	374511
PubChem CID:	131330707
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	331.90041
ΔH_f, kcal/mol:	-122.18
Dipole, Da:	3.25
IP(EA), eV:	-8.86(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-formyl-6-iodo-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=C([C@@]1(CO)N)C=C(C=C2)CCO

DOS

IR

Vibrations