Geometry & MOs

Info

ID:	426609
PubChem CID:	135151860
Reduced:	NSO4C9H15 (1)
Stoich.:	ABC4D9E15 (1)
Weight, g/mol:	412.179835
ΔH_f, kcal/mol:	-172.67
Dipole, Da:	3.21
IP(EA), eV:	-9.09(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(C=C1)S(=O)(=O)C

DOS

IR

Vibrations