Geometry & MOs

Info

ID:	65576
PubChem CID:	46386639
Reduced:	SF3N4O4H17C22 (1)
Stoich.:	AB3C4D4E17F22 (1)
Weight, g/mol:	468.092597
ΔH_f, kcal/mol:	-184.05
Dipole, Da:	4.34
IP(EA), eV:	-8.95(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=CC3=C(C=C2N=C1SCC4=NC(=NO4)C5=CC=C(C=C5)C(F)(F)F)OCO3

DOS

IR

Vibrations