Geometry & MOs

Info

ID:	50196
PubChem CID:	12012707
Reduced:	NOSH13C15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	255.071785
ΔH_f, kcal/mol:	57.81
Dipole, Da:	1.36
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfanyl-3-(naphthalen-2-ylmethyl)-1,2-oxazole

Drug info:

PubChemData

Smile

CSC1=CC(=NO1)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations