Geometry & MOs

Info

ID:	288870
PubChem CID:	104327432
Reduced:	FN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	283.067843
ΔH_f, kcal/mol:	-127.84
Dipole, Da:	4.75
IP(EA), eV:	-9.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluoro-2-methylbenzoyl)amino]thiolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NC(CC2=CN=CN2)C(=O)O

DOS

IR

Vibrations