Geometry & MOs

Info

ID:	433153
PubChem CID:	135173290
Reduced:	SN2O5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	-73.49
Dipole, Da:	9.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.024896
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C[C@@H]1NS(=O)[O-])COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

DOS

IR

Vibrations