Geometry & MOs

Info

ID:	65573
PubChem CID:	46386636
Reduced:	S2N4O4H22C23 (1)
Stoich.:	A2B4C4D22E23 (1)
Weight, g/mol:	456.092597
ΔH_f, kcal/mol:	-23.44
Dipole, Da:	2.27
IP(EA), eV:	-8.56(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC3=C(C=C2N=C1SCC4=NC(=NO4)C5=CC=C(C=C5)SC)OCO3

DOS

IR

Vibrations