Geometry & MOs

Info

ID:	373948
PubChem CID:	131321621
Reduced:	BrClFN2H3C5 (1)
Stoich.:	ABCD2E3F5 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	4.64
IP(EA), eV:	-9.47(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)F)Br)N)Cl

DOS

IR

Vibrations