Geometry & MOs

Info

ID:	372913
PubChem CID:	131306984
Reduced:	BrOSF2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	347.93171
ΔH_f, kcal/mol:	-109.59
Dipole, Da:	3.82
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-iodo-6-methoxy-1-benzothiophen-2-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CC(=C2S1)C(F)F)CBr

DOS

IR

Vibrations