Geometry & MOs

Info

ID:	372634
PubChem CID:	131301237
Reduced:	INOH6C7 (1)
Stoich.:	ABCD6E7 (1)
Weight, g/mol:	241.98715
ΔH_f, kcal/mol:	16.29
Dipole, Da:	4.75
IP(EA), eV:	-9.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-methylsulfanyl-1-benzothiophene-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)C=O)I

DOS

IR

Vibrations