Geometry & MOs

Info

ID:	375723
PubChem CID:	134220956
Reduced:	F3N3O6C40H46 (1)
Stoich.:	A3B3C6D40E46 (1)
Weight, g/mol:	384.106312
ΔH_f, kcal/mol:	-284.08
Dipole, Da:	1.0
IP(EA), eV:	-8.81(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(2-chlorophenoxy)phenyl]-5-thia-2,6-diazatricyclo[6.2.2.02,7]dodec-6-ene

Drug info:

PubChemData

Smile

CC(C)(CCNN)COC1C(C(C(C(O1)OC(=NC2=CC=CC=C2)C(F)(F)F)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations