Geometry & MOs

Info

ID:	231609
PubChem CID:	87574303
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	398.100203
ΔH_f, kcal/mol:	-28.29
Dipole, Da:	3.69
IP(EA), eV:	-8.38(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoroethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)SOC1=C(C=CC=C1N)C2=CC=CC=C2

DOS

IR

Vibrations