Geometry & MOs

Info

ID:	306453
PubChem CID:	125011777
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	405.147075
ΔH_f, kcal/mol:	-9.09
Dipole, Da:	3.75
IP(EA), eV:	-9.23(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC1=NC=C(S1)C2=CN=CC(=N2)[C@H]3CCCN3C(=O)C(C)(C)C

DOS

IR

Vibrations