Geometry & MOs

Info

ID:	82153
PubChem CID:	49855696
Reduced:	ClON5C26H28 (1)
Stoich.:	ABC5D26E28 (1)
Weight, g/mol:	518.176345
ΔH_f, kcal/mol:	34.64
Dipole, Da:	1.81
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[8-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NC=CC=N2)C(=O)N3CCC4(CCC4)CC3CNC5=NC=C(C=C5)Cl

DOS

IR

Vibrations