Geometry & MOs

Info

ID:	367648
PubChem CID:	127325172
Reduced:	SN2O4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-178.76
Dipole, Da:	4.35
IP(EA), eV:	-8.76(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-pyridin-3-ylbutanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1CCC(=O)NCC2COCCO2)C

DOS

IR

Vibrations