Geometry & MOs

Info

ID:	122986
PubChem CID:	50829502
Reduced:	FSO4N5H16C24 (1)
Stoich.:	ABC4D5E16F24 (1)
Weight, g/mol:	468.126755
ΔH_f, kcal/mol:	-20.16
Dipole, Da:	3.56
IP(EA), eV:	-9.07(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-7-pentyl-[1,3]dioxolo[4,5-g]quinazolin-8-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=N3)SCC4=NC(=NO4)C5=CC(=CC=C5)F)CC6=CC=NC=C6

DOS

IR

Vibrations