Geometry & MOs

Info

ID:	415980
PubChem CID:	135088985
Reduced:	S2N3O4C11H19 (1)
Stoich.:	A2B3C4D11E19 (1)
Weight, g/mol:	310.225643
ΔH_f, kcal/mol:	-142.83
Dipole, Da:	3.18
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1CN(C[C@@H]1O)C2=NC(=CS2)CO

DOS

IR

Vibrations