Geometry & MOs

Info

ID:	56150
PubChem CID:	17422244
Reduced:	SN3O4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	440.184841
ΔH_f, kcal/mol:	-100.31
Dipole, Da:	7.33
IP(EA), eV:	-9.13(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzoylphenoxy)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)COC3=CC=CC=C3CC4=CC=CC=C4

DOS

IR

Vibrations