Geometry & MOs

Info

ID:	373189
PubChem CID:	131311277
Reduced:	FISO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	335.91173
ΔH_f, kcal/mol:	-72.39
Dipole, Da:	2.65
IP(EA), eV:	-9.26(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-fluoro-4-iodo-1-benzothiophene-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CSC2=C1C=CC(=C2I)F

DOS

IR

Vibrations