Geometry & MOs

Info

ID:	374813
PubChem CID:	131347878
Reduced:	BrSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	297.92993
ΔH_f, kcal/mol:	-63.11
Dipole, Da:	4.75
IP(EA), eV:	-9.37(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-bromo-2-formyl-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CSC2=C1C=C(C=C2Br)C=O

DOS

IR

Vibrations