Geometry & MOs

Info

ID:	371725
PubChem CID:	131271333
Reduced:	FNC14H22 (1)
Stoich.:	ABC14D22 (1)
Weight, g/mol:	331.90041
ΔH_f, kcal/mol:	-69.29
Dipole, Da:	3.54
IP(EA), eV:	-8.76(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)C)[C@@H](CCF)N)C)C

DOS

IR

Vibrations