Geometry & MOs

Info

ID:	374814
PubChem CID:	131347888
Reduced:	BrSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	297.92993
ΔH_f, kcal/mol:	-63.8
Dipole, Da:	4.87
IP(EA), eV:	-9.21(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-3-formyl-1-benzothiophene-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC2=C1C=CC=C2Br)C=O

DOS

IR

Vibrations