Geometry & MOs

Info

ID:	378830
PubChem CID:	134224931
Reduced:	O6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	171.071785
ΔH_f, kcal/mol:	-218.73
Dipole, Da:	3.5
IP(EA), eV:	-9.48(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1OC(=O)[C@](O1)(CC(=O)O)C#CC(C)(C)OCC2=CC=CC=C2

DOS

IR

Vibrations