Geometry & MOs

Info

ID:	420176
PubChem CID:	135111678
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	282.058675
ΔH_f, kcal/mol:	-56.42
Dipole, Da:	3.88
IP(EA), eV:	-8.72(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CC3=C(C[C@H]2C(=O)O)C4=CC=CC=C4N3)CCO

DOS

IR

Vibrations