Geometry & MOs

Info

ID:	28230
PubChem CID:	826408
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	278.016828
ΔH_f, kcal/mol:	-144.65
Dipole, Da:	2.5
IP(EA), eV:	-9.47(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-phenylsulfanylphenyl)acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@]1(CCOC(C1)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations