Geometry & MOs

Info

ID:	122976
PubChem CID:	50829405
Reduced:	SN3O3H19C23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	450.136176
ΔH_f, kcal/mol:	5.68
Dipole, Da:	7.65
IP(EA), eV:	-8.68(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=CC=CC=C2SCC3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations