Geometry & MOs

Info

ID:	45388
PubChem CID:	10512556
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	208.067034
ΔH_f, kcal/mol:	-114.79
Dipole, Da:	0.5
IP(EA), eV:	-8.89(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(methylsulfanylmethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](OC(O1)C2=CC=CC=C2OC)C

DOS

IR

Vibrations