Geometry & MOs

Info

ID:	375151
PubChem CID:	131472669
Reduced:	BrNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-14.92
Dipole, Da:	5.07
IP(EA), eV:	-9.62(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C#N)C(=C(S2)CC(=O)O)Br

DOS

IR

Vibrations