Geometry & MOs

Info

ID:	70736
PubChem CID:	48413797
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-7.78
Dipole, Da:	9.08
IP(EA), eV:	-8.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations