Geometry & MOs

Info

ID:	374549
PubChem CID:	131331401
Reduced:	BrFNSH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	236.050715
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	2.54
IP(EA), eV:	-8.49(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxy-5-methyl-1-benzothiophen-3-yl)acetic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)(C2=C(C=CS2)Br)N

DOS

IR

Vibrations