Geometry & MOs

Info

ID:	138356
PubChem CID:	52353084
Reduced:	FNO3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	318.12628
ΔH_f, kcal/mol:	-117.09
Dipole, Da:	2.26
IP(EA), eV:	-9.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC(=O)C[C@H](C1=CC=C(C=C1)F)NC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations