Geometry & MOs

Info

ID:	373411
PubChem CID:	131314788
Reduced:	BrClOSH10C11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	238.046379
ΔH_f, kcal/mol:	-13.32
Dipole, Da:	1.16
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-5-fluoro-1-benzothiophen-4-yl)acetic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C=CSC2=C1CCl)Br

DOS

IR

Vibrations