Geometry & MOs

Info

ID:	142996
PubChem CID:	53129979
Reduced:	OSN4C24H26 (1)
Stoich.:	ABC4D24E26 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	38.39
Dipole, Da:	2.73
IP(EA), eV:	-8.49(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxyphenyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=NC=CN=C3SC4=CC=CC=C4

DOS

IR

Vibrations