Geometry & MOs

Info

ID:	55567
PubChem CID:	17395570
Reduced:	FOSN4H15C16 (1)
Stoich.:	ABCD4E15F16 (1)
Weight, g/mol:	367.146681
ΔH_f, kcal/mol:	28.05
Dipole, Da:	3.28
IP(EA), eV:	-8.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCCOC2=CC=CC=C2F)C3=CN=CC=C3

DOS

IR

Vibrations