Geometry & MOs

Info

ID:	131846
PubChem CID:	51268669
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	388.136925
ΔH_f, kcal/mol:	37.4
Dipole, Da:	3.49
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenoxy)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCSC)C1=NN=C2N1C=CC=C2)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations