Geometry & MOs

Info

ID:	65572
PubChem CID:	46386635
Reduced:	SN2O2H10C11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	482.108248
ΔH_f, kcal/mol:	-22.84
Dipole, Da:	1.54
IP(EA), eV:	-8.54(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC3=C(C=C2N=C1SCC4=NC(=NO4)C5=CC=C(C=C5)SC)OCO3

DOS

IR

Vibrations