Geometry & MOs

Info

ID:	65575
PubChem CID:	46386638
Reduced:	SF3N4O4H17C22 (1)
Stoich.:	AB3C4D4E17F22 (1)
Weight, g/mol:	490.092261
ΔH_f, kcal/mol:	-184.91
Dipole, Da:	2.05
IP(EA), eV:	-8.99(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=CC3=C(C=C2N=C1SCC4=NC(=NO4)C5=CC(=CC=C5)C(F)(F)F)OCO3

DOS

IR

Vibrations