Geometry & MOs

Info

ID:	137044
PubChem CID:	52143117
Reduced:	SO3N4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	367.110296
ΔH_f, kcal/mol:	-12.85
Dipole, Da:	7.56
IP(EA), eV:	-9.47(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-ethylphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCCCC1=NC(=O)C=C(N1)CSC2=NN=C(O2)C3=CC=CO3

DOS

IR

Vibrations