Geometry & MOs

Info

ID:	69048
PubChem CID:	46516656
Reduced:	N2F3O6H17C21 (1)
Stoich.:	A2B3C6D17E21 (1)
Weight, g/mol:	409.13726
ΔH_f, kcal/mol:	-275.04
Dipole, Da:	6.52
IP(EA), eV:	-9.04(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methylphenyl)-5-[1-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCC(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F)OC

DOS

IR

Vibrations