Geometry & MOs

Info

ID:	373346
PubChem CID:	131313599
Reduced:	SO2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	351.88218
ΔH_f, kcal/mol:	-94.42
Dipole, Da:	4.61
IP(EA), eV:	-9.33(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-2-iodo-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC2=C(C1)C(=CS2)C(=O)O

DOS

IR

Vibrations