Geometry & MOs

Info

ID:	235860
PubChem CID:	92710925
Reduced:	S2O3N4C17H22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	418.17871
ΔH_f, kcal/mol:	-71.53
Dipole, Da:	7.8
IP(EA), eV:	-8.25(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-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)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations