Geometry & MOs

Info

ID:	45654
PubChem CID:	10516103
Reduced:	NSO5C11H11 (1)
Stoich.:	ABC5D11E11 (1)
Weight, g/mol:	269.162708
ΔH_f, kcal/mol:	-183.06
Dipole, Da:	8.2
IP(EA), eV:	-9.79(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(3S,6S)-2,5-dioxo-6-propan-2-ylpiperidin-3-yl]acetate

Drug info:

PubChemData

Smile

CN(C)C(=O)SC1=CC(=CC(=C1)C(=O)O)C(=O)O

DOS

IR

Vibrations