Geometry & MOs

Info

ID:	372534
PubChem CID:	131299377
Reduced:	ClFO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-166.68
Dipole, Da:	5.98
IP(EA), eV:	-9.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-7-(cyanomethyl)-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1COC(C2=C(C=CC(=C21)CCl)F)C(=O)O

DOS

IR

Vibrations