Geometry & MOs

Info

ID:	26460
PubChem CID:	649044
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	-57.85
Dipole, Da:	5.63
IP(EA), eV:	-8.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=C(C3=CC=CC=C3OC2=O)N4CCCCC4

DOS

IR

Vibrations