Geometry & MOs

Info

ID:	50195
PubChem CID:	12012706
Reduced:	ClNOSH10C11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	255.071785
ΔH_f, kcal/mol:	30.3
Dipole, Da:	1.24
IP(EA), eV:	-8.98(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC(=NO1)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations