Geometry & MOs

Info

ID:	414111
PubChem CID:	135087065
Reduced:	SN3O5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-167.52
Dipole, Da:	4.66
IP(EA), eV:	-8.32(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-non-1-yn-3-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)C(CS)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations