Geometry & MOs

Info

ID:	77739
PubChem CID:	49658797
Reduced:	SO3N5H15C19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	379.108068
ΔH_f, kcal/mol:	72.18
Dipole, Da:	8.61
IP(EA), eV:	-8.87(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-5-[1-(4-fluoro-3-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=CC=C2)SC)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations