Geometry & MOs

Info

ID:	426611
PubChem CID:	135152002
Reduced:	FN2O4H21C25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	478.156243
ΔH_f, kcal/mol:	-73.93
Dipole, Da:	6.8
IP(EA), eV:	-8.32(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(isoindol-2-ylmethyl)-5-[(4-piperidin-1-ylsulfonylphenyl)methoxy]pyran-4-one

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)C2=CC(=C(C=C2)COC3=COC(=CC3=O)CN4C=C5C=CC=CC5=C4)F

DOS

IR

Vibrations