Geometry & MOs

Info

ID:	77508
PubChem CID:	49649850
Reduced:	SN2O2F3H15C19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	298.10659
ΔH_f, kcal/mol:	-143.31
Dipole, Da:	5.52
IP(EA), eV:	-9.8(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-3-oxo-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C(C#N)C(=O)CC2=CSC(=N2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations