Geometry & MOs

Info

ID:	306036
PubChem CID:	125000790
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	323.110376
ΔH_f, kcal/mol:	-7.18
Dipole, Da:	6.16
IP(EA), eV:	-9.37(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-fluorophenyl)sulfonyl-3-methyl-3-(1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=CN=C(C=N2)[C@@H]3CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations