Geometry & MOs

Info

ID:	68899
PubChem CID:	46511432
Reduced:	N3O3H17C24 (1)
Stoich.:	A3B3C17D24 (1)
Weight, g/mol:	458.132509
ΔH_f, kcal/mol:	-0.17
Dipole, Da:	6.41
IP(EA), eV:	-9.41(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methylphenyl)-5-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)CN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations