Geometry & MOs

Info

ID:	373640
PubChem CID:	131318155
Reduced:	BrOS2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-8.14
Dipole, Da:	1.51
IP(EA), eV:	-8.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(bromomethyl)-3-hydroxy-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

CSC1=C2C(=C(C=C1)CO)C(=CS2)CBr

DOS

IR

Vibrations