Geometry & MOs

Info

ID:	372015
PubChem CID:	131286562
Reduced:	ClSO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	267.97351
ΔH_f, kcal/mol:	-84.68
Dipole, Da:	5.05
IP(EA), eV:	-8.66(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-4-methyl-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

C1C(CSC2=C1C=CC(=C2)Cl)CC(=O)O

DOS

IR

Vibrations