Geometry & MOs

Info

ID:	82029
PubChem CID:	49855503
Reduced:	ClOSN4C25H27 (1)
Stoich.:	ABCD4E25F27 (1)
Weight, g/mol:	484.149989
ΔH_f, kcal/mol:	24.29
Dipole, Da:	5.6
IP(EA), eV:	-8.49(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C2=CC=CC=C2)C(=O)N3CCC4(CCC4)CC3CNC5=NC=C(C=C5)Cl

DOS

IR

Vibrations