Geometry & MOs

Info

ID:	419204
PubChem CID:	135107733
Reduced:	FN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	441.147075
ΔH_f, kcal/mol:	-145.34
Dipole, Da:	2.13
IP(EA), eV:	-9.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

CN(C)C(C1=CC(=CC=C1)F)C(=O)N2CCCN(CC2)C(=O)COC

DOS

IR

Vibrations