Geometry & MOs

Info

ID:	375692
PubChem CID:	134220820
Reduced:	ClOS2N3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	408.142011
ΔH_f, kcal/mol:	155.82
Dipole, Da:	5.18
IP(EA), eV:	-8.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-[4-(5-thia-2,6-diazatricyclo[6.2.2.02,7]dodec-6-en-8-ylmethoxy)phenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC2(CCC1N3C2=NSCC3)C4=CN=C(C=C4)OC5=CC=C(S5)Cl

DOS

IR

Vibrations