Geometry & MOs

Info

ID:	337399
PubChem CID:	127257084
Reduced:	NSO3C21H39 (1)
Stoich.:	ABC3D21E39 (1)
Weight, g/mol:	273.139865
ΔH_f, kcal/mol:	-191.63
Dipole, Da:	6.17
IP(EA), eV:	-8.8(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxooctyl thiomorpholine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)CCCCOC(=O)[C@@H]1CSCCN1

DOS

IR

Vibrations