Geometry & MOs

Info

ID:	207430
PubChem CID:	80395123
Reduced:	NSO3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	259.124215
ΔH_f, kcal/mol:	-165.07
Dipole, Da:	3.94
IP(EA), eV:	-8.92(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-5-oxo-5-(thiolan-2-ylmethylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(CC(=O)NCC2CCCS2)C(=O)O

DOS

IR

Vibrations