Geometry & MOs

Info

ID:	82028
PubChem CID:	49855502
Reduced:	FOSN4C26H29 (1)
Stoich.:	ABCD4E26F29 (1)
Weight, g/mol:	466.15941
ΔH_f, kcal/mol:	-23.68
Dipole, Da:	4.59
IP(EA), eV:	-8.33(-0.98)
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]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NCC2CC3(CCC3)CCN2C(=O)C4=C(SC(=N4)C)C5=CC=C(C=C5)F

DOS

IR

Vibrations