Geometry & MOs

Info

ID:	305514
PubChem CID:	124958295
Reduced:	SN6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	428.115441
ΔH_f, kcal/mol:	114.09
Dipole, Da:	2.8
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CSC=N2)C3=CC(=NC=C3)NC4=NC=CN=C4

DOS

IR

Vibrations