Geometry & MOs

Info

ID:	374815
PubChem CID:	131347894
Reduced:	BrSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	297.92993
ΔH_f, kcal/mol:	-63.0
Dipole, Da:	4.55
IP(EA), eV:	-9.41(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-3-formyl-1-benzothiophene-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C2C(=C1)C(=CS2)C=O)Br

DOS

IR

Vibrations