Geometry & MOs

Info

ID:	295044
PubChem CID:	117512633
Reduced:	FS2N3O4C11H12 (1)
Stoich.:	AB2C3D4E11F12 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-142.76
Dipole, Da:	6.96
IP(EA), eV:	-9.2(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1S(=O)(=O)C)F)C2=C(NN=C2)N

DOS

IR

Vibrations