Geometry & MOs

Info

ID:	200713
PubChem CID:	79431104
Reduced:	BrClO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	316.032479
ΔH_f, kcal/mol:	-90.24
Dipole, Da:	6.24
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(CCOC2=CC(=CC=C2)Br)C(=O)O

DOS

IR

Vibrations