Geometry & MOs

Info

ID:	373467
PubChem CID:	131315700
Reduced:	FSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-137.26
Dipole, Da:	3.08
IP(EA), eV:	-9.24(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C2C=C(SC2=C1)CO)F

DOS

IR

Vibrations