Geometry & MOs

Info

ID:	229103
PubChem CID:	87566955
Reduced:	O3N5F6H15C19 (1)
Stoich.:	A3B5C6D15E19 (1)
Weight, g/mol:	511.10118
ΔH_f, kcal/mol:	-339.64
Dipole, Da:	3.99
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[[4-(3-fluoropyridin-2-yl)-1,3-thiazol-2-yl]amino]methyl]-3-pyridin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one;dihydrochloride

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=CC(=N2)C3=C(C=CC=C3OCCOC(=O)C(F)(F)F)C(F)(F)F)N

DOS

IR

Vibrations