Geometry & MOs

Info

ID:	37351
PubChem CID:	8020074
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	-69.82
Dipole, Da:	1.16
IP(EA), eV:	-8.72(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N

DOS

IR

Vibrations