Geometry & MOs

Info

ID:	306153
PubChem CID:	125001797
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	335.141596
ΔH_f, kcal/mol:	-16.24
Dipole, Da:	4.98
IP(EA), eV:	-9.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine

Drug info:

PubChemData

Smile

C1CO[C@H](CN1C(=O)C2=CSC=C2)CCC3=NC=NC=C3

DOS

IR

Vibrations