Geometry & MOs

Info

ID:	132263
PubChem CID:	51331724
Reduced:	FN2O5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	397.100874
ΔH_f, kcal/mol:	-130.08
Dipole, Da:	3.2
IP(EA), eV:	-8.98(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)COC3=C(C=C(C=C3)C(=O)OC)OC)F

DOS

IR

Vibrations