Geometry & MOs

Info

ID:	371673
PubChem CID:	131270275
Reduced:	BrSF2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	238.009993
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	1.77
IP(EA), eV:	-8.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-hydroxy-1-benzothiophen-2-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC1=CSC2=C1C=C(C(=C2)CBr)C(F)F

DOS

IR

Vibrations