Geometry & MOs

Info

ID:	235861
PubChem CID:	92710926
Reduced:	SO3N6C19H26 (1)
Stoich.:	AB3C6D19E26 (1)
Weight, g/mol:	418.17871
ΔH_f, kcal/mol:	-54.49
Dipole, Da:	8.88
IP(EA), eV:	-8.44(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations