Geometry & MOs

Info

ID:	292732
PubChem CID:	117357504
Reduced:	SO5C10H10 (1)
Stoich.:	AB5C10D10 (1)
Weight, g/mol:	242.041294
ΔH_f, kcal/mol:	-178.14
Dipole, Da:	2.88
IP(EA), eV:	-10.51(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-4-hydroxy-3-methylsulfanylphenyl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations