Geometry & MOs

Info

ID:	372864
PubChem CID:	131306207
Reduced:	ClOSC13H15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	411.82657
ΔH_f, kcal/mol:	-32.06
Dipole, Da:	2.17
IP(EA), eV:	-8.26(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-iodo-1-benzothiophen-3-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CCC1=C(C=C(C2=C1C=CS2)CCl)OCC

DOS

IR

Vibrations