Geometry & MOs

Info

ID:	371814
PubChem CID:	131272457
Reduced:	O2N3C8H9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	331.90041
ΔH_f, kcal/mol:	-65.14
Dipole, Da:	5.0
IP(EA), eV:	-10.21(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-formyl-2-iodo-1-benzothiophene-7-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=O)NC(=O)N1)CC#N

DOS

IR

Vibrations