Geometry & MOs

Info

ID:	422248
PubChem CID:	135117491
Reduced:	N2S2O5C17H26 (1)
Stoich.:	A2B2C5D17E26 (1)
Weight, g/mol:	426.195486
ΔH_f, kcal/mol:	-190.61
Dipole, Da:	4.14
IP(EA), eV:	-8.92(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)CO

DOS

IR

Vibrations