Geometry & MOs

Info

ID:	433488
PubChem CID:	135173625
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-2.63
Dipole, Da:	3.94
IP(EA), eV:	-8.82(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dihydroisoindol-2-ylmethyl)-5-[(1-methylsulfinylpiperidin-4-yl)methoxy]pyran-4-one

Drug info:

PubChemData

Smile

C#CCOC1=COC(=CC1O)CN2CC3=CC=CC=C3C2

DOS

IR

Vibrations