Geometry & MOs

Info

ID:	199150
PubChem CID:	79205466
Reduced:	SO3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	320.027393
ΔH_f, kcal/mol:	-84.59
Dipole, Da:	4.16
IP(EA), eV:	-8.63(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)benzoic acid

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2S1)COC3=CC=C(C=C3)CC(=O)O

DOS

IR

Vibrations