Geometry & MOs

Info

ID:	68892
PubChem CID:	46511415
Reduced:	FN3O3H16C20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	323.03108
ΔH_f, kcal/mol:	-48.22
Dipole, Da:	2.39
IP(EA), eV:	-8.55(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)CC3=CNC4=CC=CC=C43)F

DOS

IR

Vibrations