Geometry & MOs

Info

ID:	375691
PubChem CID:	134220819
Reduced:	OSF3N3H20C21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	391.057982
ΔH_f, kcal/mol:	-10.97
Dipole, Da:	5.1
IP(EA), eV:	-8.61(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[6-(5-chlorothiophen-2-yl)oxypyridin-3-yl]-5-thia-2,6-diazatricyclo[6.2.2.02,7]dodec-6-ene

Drug info:

PubChemData

Smile

C1CC2(CCC1N3C2=NSCC3)C4=NC=C(C=C4)OC5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations