Geometry & MOs

Info

ID:	69049
PubChem CID:	46516657
Reduced:	FOSN5H20C21 (1)
Stoich.:	ABCD5E20F21 (1)
Weight, g/mol:	380.110711
ΔH_f, kcal/mol:	56.55
Dipole, Da:	5.54
IP(EA), eV:	-9.25(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methylphenyl)-5-(3-quinazolin-4-ylsulfanylpropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)SC3=NN=C(N3C)C4=CC=CC=C4C)F

DOS

IR

Vibrations