Geometry & MOs

Info

ID:	82326
PubChem CID:	49855894
Reduced:	OF3N3C30H32 (1)
Stoich.:	AB3C3D30E32 (1)
Weight, g/mol:	438.12811
ΔH_f, kcal/mol:	-161.86
Dipole, Da:	5.17
IP(EA), eV:	-9.04(-0.51)
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]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)N3CCC4(CCCC4)CC3CNC5=NC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations