Geometry & MOs

Info

ID:	56718
PubChem CID:	22388920
Reduced:	SO3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	242.077679
ΔH_f, kcal/mol:	-125.59
Dipole, Da:	4.48
IP(EA), eV:	-9.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(fluoromethyl)phenyl]methylsulfanyl]butanoic acid

Drug info:

PubChemData

Smile

CCC(C(C(=O)O)SCC1=CC=CC=C1)O

DOS

IR

Vibrations