Geometry & MOs

Info

ID:	50194
PubChem CID:	12012705
Reduced:	NSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	239.017163
ΔH_f, kcal/mol:	0.23
Dipole, Da:	2.93
IP(EA), eV:	-8.79(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chlorophenyl)methyl]-5-methylsulfanyl-1,2-oxazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NOC(=C2)SC

DOS

IR

Vibrations