Geometry & MOs

Info

ID:	372842
PubChem CID:	131305827
Reduced:	SO3H10C12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	363.85913
ΔH_f, kcal/mol:	-81.87
Dipole, Da:	5.59
IP(EA), eV:	-8.98(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-2-(bromomethyl)-1-benzothiophene-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1O)SC=C2/C=C/C(=O)O

DOS

IR

Vibrations