Geometry & MOs

Info

ID:	36871
PubChem CID:	8014075
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	361.99022
ΔH_f, kcal/mol:	-49.02
Dipole, Da:	6.5
IP(EA), eV:	-8.91(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-bromofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=C(C=C(C=C3)SC)OC

DOS

IR

Vibrations