Geometry & MOs

Info

ID:	375697
PubChem CID:	134220845
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	371.112605
ΔH_f, kcal/mol:	35.29
Dipole, Da:	3.86
IP(EA), eV:	-8.35(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C23CCC(CC2)N4C3=NSCC4

DOS

IR

Vibrations