Geometry & MOs

Info

ID:	284749
PubChem CID:	104067800
Reduced:	FSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	314.02245
ΔH_f, kcal/mol:	-159.1
Dipole, Da:	2.07
IP(EA), eV:	-8.81(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,4-difluorophenyl)methylsulfinyl]-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

CCC1CCCC(C1)S(=O)C2=CC(=C(C=C2)F)C(=O)O

DOS

IR

Vibrations