Geometry & MOs

Info

ID:	375145
PubChem CID:	131472656
Reduced:	BrNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-2.63
Dipole, Da:	3.74
IP(EA), eV:	-9.53(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CSC2=CC(=CC(=C21)C#N)Br

DOS

IR

Vibrations