Geometry & MOs

Info

ID:	122985
PubChem CID:	50829492
Reduced:	ON8C27H28 (1)
Stoich.:	AB8C27D28 (1)
Weight, g/mol:	489.090703
ΔH_f, kcal/mol:	157.93
Dipole, Da:	8.62
IP(EA), eV:	-8.75(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)C3=NN4C(=NN=C4CCC5=NC(=NO5)C6=CC=CC=C6C)C=C3

DOS

IR

Vibrations