Geometry & MOs

Info

ID:	374823
PubChem CID:	131348157
Reduced:	SF2N2H8C11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	-39.66
Dipole, Da:	7.11
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-5-hydroxy-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=CC(=C21)N)CC#N)C(F)F

DOS

IR

Vibrations