Geometry & MOs

Info

ID:	374816
PubChem CID:	131347895
Reduced:	BrSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	297.92993
ΔH_f, kcal/mol:	-65.36
Dipole, Da:	4.19
IP(EA), eV:	-9.33(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-2-formyl-1-benzothiophene-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC2=C1SC=C2C=O)Br

DOS

IR

Vibrations