Geometry & MOs

Info

ID:	306316
PubChem CID:	125003716
Reduced:	ClSF2N2O4C25H29 (1)
Stoich.:	ABC2D2E4F25G29 (1)
Weight, g/mol:	309.125946
ΔH_f, kcal/mol:	-233.31
Dipole, Da:	6.75
IP(EA), eV:	-8.83(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1H-imidazol-5-ylmethyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C[C@]2(CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)F)F)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations