Geometry & MOs

Info

ID:	122980
PubChem CID:	50829487
Reduced:	SO4N5H17C24 (1)
Stoich.:	AB4C5D17E24 (1)
Weight, g/mol:	485.115775
ΔH_f, kcal/mol:	27.26
Dipole, Da:	2.93
IP(EA), eV:	-9.05(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-7-(pyridin-4-ylmethyl)-[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)CC6=CC=NC=C6

DOS

IR

Vibrations