Geometry & MOs

Info

ID:	365686
PubChem CID:	127318411
Reduced:	O4N5H13C14 (1)
Stoich.:	A4B5C13D14 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-77.1
Dipole, Da:	2.2
IP(EA), eV:	-9.87(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-4-yl)-5-(oxan-2-ylmethylsulfanylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1COCCC1C2=NOC(=N2)C3=CC4=C(NC(=O)NC4=O)N=C3

DOS

IR

Vibrations