Geometry & MOs

Info

ID:	375144
PubChem CID:	131472655
Reduced:	BrNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-6.52
Dipole, Da:	1.07
IP(EA), eV:	-9.44(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-4-cyano-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C(C=C2S1)Br)C#N

DOS

IR

Vibrations