Geometry & MOs

Info

ID:	65580
PubChem CID:	46386643
Reduced:	SF3N4O4H15C21 (1)
Stoich.:	AB3C4D4E15F21 (1)
Weight, g/mol:	504.110356
ΔH_f, kcal/mol:	-178.29
Dipole, Da:	4.53
IP(EA), eV:	-9.01(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC3=C(C=C2N=C1SCC4=NC(=NO4)C5=CC=C(C=C5)C(F)(F)F)OCO3

DOS

IR

Vibrations