Geometry & MOs

Info

ID:	207429
PubChem CID:	80395122
Reduced:	OSC12H26 (1)
Stoich.:	ABC12D26 (1)
Weight, g/mol:	271.124215
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	1.39
IP(EA), eV:	-8.83(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)(COC(C)C(C)C)CS

DOS

IR

Vibrations