Geometry & MOs

Info

ID:	337395
PubChem CID:	127257080
Reduced:	NSO7C16H21 (1)
Stoich.:	ABC7D16E21 (1)
Weight, g/mol:	273.139865
ΔH_f, kcal/mol:	-242.8
Dipole, Da:	7.27
IP(EA), eV:	-8.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-5-oxohexyl) thiomorpholine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC(=O)COC(=O)CCN2CCS(=O)(=O)C2

DOS

IR

Vibrations