Geometry & MOs

Info

ID:	433152
PubChem CID:	135173289
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	403.132768
ΔH_f, kcal/mol:	-50.7
Dipole, Da:	4.68
IP(EA), eV:	-9.07(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[4-oxo-5-[[(3R)-3-(sulfinatoamino)cyclopentyl]methoxy]pyran-2-yl]methyl]-1,3-dihydroisoindole

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H]1COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3)NS

DOS

IR

Vibrations