Geometry & MOs

Info

ID:	55351
PubChem CID:	17395273
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	259.057947
ΔH_f, kcal/mol:	-18.27
Dipole, Da:	3.66
IP(EA), eV:	-8.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

Drug info:

PubChemData

Smile

CCNC(=O)C(C)SC1=NC2=CC=CC=C2N1CC

DOS

IR

Vibrations