Geometry & MOs

Info

ID:	433144
PubChem CID:	135173281
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	3.7
IP(EA), eV:	-9.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=COC(=CC1=O)CN2CC3=CC=CC=C3C2

DOS

IR

Vibrations