Geometry & MOs

Info

ID:	65574
PubChem CID:	46386637
Reduced:	S2N4O4H20C21 (1)
Stoich.:	A2B4C4D20E21 (1)
Weight, g/mol:	490.092261
ΔH_f, kcal/mol:	-25.18
Dipole, Da:	1.68
IP(EA), eV:	-8.95(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-propan-2-yl-6-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-[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=CS5)OCO3

DOS

IR

Vibrations