Geometry & MOs

Info

ID:	136540
PubChem CID:	52059484
Reduced:	SO2N4C19H29 (1)
Stoich.:	AB2C4D19E29 (1)
Weight, g/mol:	376.193297
ΔH_f, kcal/mol:	-14.95
Dipole, Da:	7.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.820677
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)C[NH+]2CCC(CC2)C(=O)NCCC3=CC=CS3

DOS

IR

Vibrations