Geometry & MOs

Info

ID:	426612
PubChem CID:	135152004
Reduced:	SN2O5C26H26 (1)
Stoich.:	AB2C5D26E26 (1)
Weight, g/mol:	480.171893
ΔH_f, kcal/mol:	-91.2
Dipole, Da:	9.06
IP(EA), eV:	-8.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)COC3=COC(=CC3=O)CN4C=C5C=CC=CC5=C4

DOS

IR

Vibrations