Geometry & MOs

Info

ID:	170099
PubChem CID:	75197104
Reduced:	NSF3O3C15H16 (1)
Stoich.:	ABC3D3E15F16 (1)
Weight, g/mol:	239.072848
ΔH_f, kcal/mol:	-242.81
Dipole, Da:	5.57
IP(EA), eV:	-9.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-sulfanylidene-3H-pyridazin-3-yl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1F)NCC(C2=O)S(=O)(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations