Geometry & MOs

Info

ID:	373393
PubChem CID:	131314537
Reduced:	FSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-134.72
Dipole, Da:	3.89
IP(EA), eV:	-9.18(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-6-(hydroxymethyl)-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=CC(=C2C(=O)O)F)CO

DOS

IR

Vibrations