Geometry & MOs

Info

ID:	396253
PubChem CID:	135027874
Reduced:	NO2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	367.108959
ΔH_f, kcal/mol:	-162.34
Dipole, Da:	4.34
IP(EA), eV:	-8.69(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,4R,5S)-3-(benzenesulfonyl)-9,9-dimethyl-6-oxo-7-oxa-1-azaspiro[4.4]nonane-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H]2CN(CC(C1CC=C)C23OCCO3)CC4=CC=CC=C4

DOS

IR

Vibrations