Geometry & MOs

Info

ID:	375693
PubChem CID:	134220824
Reduced:	FOSN4H21C22 (1)
Stoich.:	ABCD4E21F22 (1)
Weight, g/mol:	433.102704
ΔH_f, kcal/mol:	61.46
Dipole, Da:	3.97
IP(EA), eV:	-8.44(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[4-(5-chloro-3-fluoropyridin-2-yl)phenoxy]methyl]-5lambda4-thia-2,6-diazatricyclo[6.2.2.02,7]dodec-6-ene 5-oxide

Drug info:

PubChemData

Smile

C1CC2(CCC1N3C2=NSCC3)COC4=CC=C(C=C4)C5=C(C=C(C=N5)C#N)F

DOS

IR

Vibrations