Geometry & MOs

Info

ID:	28224
PubChem CID:	826395
Reduced:	SN3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	296.007407
ΔH_f, kcal/mol:	19.9
Dipole, Da:	7.34
IP(EA), eV:	-8.04(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-(3-fluorophenyl)sulfanylphenyl]acetic acid

Drug info:

PubChemData

Smile

C[C@@]12C[C@@](CN(C1)C)(CN(C2)C(=S)NC3=CC=CC=C3)C

DOS

IR

Vibrations