Geometry & MOs

Info

ID:	440814
PubChem CID:	135231636
Reduced:	SO2F3N7C24H26 (1)
Stoich.:	AB2C3D7E24F26 (1)
Weight, g/mol:	434.131423
ΔH_f, kcal/mol:	-76.49
Dipole, Da:	2.86
IP(EA), eV:	-8.52(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[(2-methoxypyridin-4-yl)methyl]-3-methyl-1,5-dihydro-1,2,4-triazol-5-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NC(NN1CC2=CC(=CC=C2)SN3CCN(CC3)C)C4=NC(=NO4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations