Geometry & MOs

Info

ID:	373190
PubChem CID:	131311286
Reduced:	FISO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	301.92484
ΔH_f, kcal/mol:	-67.4
Dipole, Da:	2.36
IP(EA), eV:	-9.24(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-3-hydroxy-1-benzothiophen-2-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(C=C1F)SC=C2)I

DOS

IR

Vibrations