Geometry & MOs

Info

ID:	126546
PubChem CID:	50967610
Reduced:	SO3N4C14H22 (1)
Stoich.:	AB3C4D14E22 (1)
Weight, g/mol:	377.104542
ΔH_f, kcal/mol:	-85.43
Dipole, Da:	6.45
IP(EA), eV:	-9.07(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CCN1C(=NN(C1=O)C2CS(=O)(=O)C=C2)CC3CCNCC3

DOS

IR

Vibrations