Geometry & MOs

Info

ID:	157025
PubChem CID:	56412918
Reduced:	ClSN3O4C21H32 (1)
Stoich.:	ABC3D4E21F32 (1)
Weight, g/mol:	375.179421
ΔH_f, kcal/mol:	-176.12
Dipole, Da:	3.14
IP(EA), eV:	-8.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-5-[[4-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)[C@H](C)NS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations