Geometry & MOs

Info

ID:	65584
PubChem CID:	46386647
Reduced:	S2N4O5H18C24 (1)
Stoich.:	A2B4C5D18E24 (1)
Weight, g/mol:	504.110356
ΔH_f, kcal/mol:	-17.29
Dipole, Da:	2.73
IP(EA), eV:	-8.56(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-(4-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

CSC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC5=C(C=C4C(=O)N3CC6=CC=CO6)OCO5

DOS

IR

Vibrations