Geometry & MOs

Info

ID:	375694
PubChem CID:	134220826
Reduced:	ClFSO2N3C21H21 (1)
Stoich.:	ABCD2E3F21G21 (1)
Weight, g/mol:	434.062254
ΔH_f, kcal/mol:	-11.46
Dipole, Da:	5.52
IP(EA), eV:	-8.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(3,4-dichlorophenoxy)phenyl]-5lambda4-thia-2,6-diazatricyclo[6.2.2.02,7]dodec-6-ene 5-oxide

Drug info:

PubChemData

Smile

C1CC2(CCC1N3C2=NS(=O)CC3)COC4=CC=C(C=C4)C5=C(C=C(C=N5)Cl)F

DOS

IR

Vibrations