Geometry & MOs

Info

ID:	122987
PubChem CID:	50829524
Reduced:	FSN4O4H21C23 (1)
Stoich.:	ABC4D4E21F23 (1)
Weight, g/mol:	480.146741
ΔH_f, kcal/mol:	-79.24
Dipole, Da:	1.89
IP(EA), eV:	-9.0(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCN1C(=O)C2=CC3=C(C=C2N=C1SCC4=NC(=NO4)C5=CC=C(C=C5)F)OCO3

DOS

IR

Vibrations