Geometry & MOs

Info

ID:	436239
PubChem CID:	135195689
Reduced:	FSO5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	372.137302
ΔH_f, kcal/mol:	-264.05
Dipole, Da:	4.1
IP(EA), eV:	-9.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R,2R)-2-(1,3-benzodioxol-5-yloxymethyl)cyclohexyl]-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)[C@@H]2CCCC[C@H]2COS(=O)(=O)C)F

DOS

IR

Vibrations