Geometry & MOs

Info

ID:	137039
PubChem CID:	52142908
Reduced:	SO3N5C20H27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	285.114713
ΔH_f, kcal/mol:	-67.78
Dipole, Da:	5.82
IP(EA), eV:	-9.0(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1CSC2=NN=C(O2)C3CCCCC3)N4CCCC4

DOS

IR

Vibrations