Geometry & MOs

Info

ID:	139561
PubChem CID:	52557610
Reduced:	SO2N5C20H27 (1)
Stoich.:	AB2C5D20E27 (1)
Weight, g/mol:	275.072848
ΔH_f, kcal/mol:	25.57
Dipole, Da:	7.5
IP(EA), eV:	-9.05(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC(C)C)SCC3=NC(=NO3)CC

DOS

IR

Vibrations