Geometry & MOs

Info

ID:	436695
PubChem CID:	135207643
Reduced:	SN3O3C26H27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	513.24277
ΔH_f, kcal/mol:	-51.09
Dipole, Da:	4.05
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1'-(cyclobutylmethyl)-4-oxospiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-6-yl]-N-[(3-fluorophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CCN1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)C4=NC=C(C=C4)C(=O)NCC5=CC=CS5

DOS

IR

Vibrations