Geometry & MOs

Info

ID:	155231
PubChem CID:	56322917
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	459.264568
ΔH_f, kcal/mol:	-61.05
Dipole, Da:	6.51
IP(EA), eV:	-8.38(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C#N)NC(=O)CCN2C=CC3=CC=CC=C32

DOS

IR

Vibrations