Geometry & MOs

Info

ID:	68882
PubChem CID:	46511112
Reduced:	ON3S3H23C24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	460.040832
ΔH_f, kcal/mol:	48.83
Dipole, Da:	5.78
IP(EA), eV:	-8.83(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations