Geometry & MOs

Info

ID:	373476
PubChem CID:	131315900
Reduced:	BrClSO3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	238.046379
ΔH_f, kcal/mol:	-91.35
Dipole, Da:	3.9
IP(EA), eV:	-9.33(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-6-fluoro-1-benzothiophen-7-yl)acetic acid

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=C(C=C1Br)Cl)C(C(=O)O)O

DOS

IR

Vibrations