Geometry & MOs

Info

ID:	285579
PubChem CID:	104114074
Reduced:	N3O3C11H17 (1)
Stoich.:	A3B3C11D17 (1)
Weight, g/mol:	256.088164
ΔH_f, kcal/mol:	-89.34
Dipole, Da:	6.7
IP(EA), eV:	-8.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-methylthiomorpholin-4-yl)-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1CCC(C1)CN(C)C2=NC(=CO2)C(=O)O

DOS

IR

Vibrations