Geometry & MOs

Info

ID:	128692
PubChem CID:	51054245
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	285.007182
ΔH_f, kcal/mol:	-127.33
Dipole, Da:	5.66
IP(EA), eV:	-8.87(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,6-dichlorophenyl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)COC2=COC(=CC2=O)CN3CCSCC3

DOS

IR

Vibrations