Geometry & MOs

Info

ID:	82327
PubChem CID:	49855895
Reduced:	ClOSN4C23H23 (1)
Stoich.:	ABCD4E23F23 (1)
Weight, g/mol:	456.118688
ΔH_f, kcal/mol:	44.69
Dipole, Da:	7.72
IP(EA), eV:	-8.25(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[(5-chloropyridin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-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)N3CC4(CC4)CC3CNC5=NC=C(C=C5)Cl

DOS

IR

Vibrations