Geometry & MOs

Info

ID:	403091
PubChem CID:	135058704
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	449.016781
ΔH_f, kcal/mol:	-89.83
Dipole, Da:	2.03
IP(EA), eV:	-9.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11Z)-4-(2,6-dichlorophenyl)-11-[(4-fluorophenyl)methylidene]-2-oxa-12-thia-3,5,9-triazatricyclo[7.3.0.01,5]dodec-3-en-10-one

Drug info:

PubChemData

Smile

C1CN(C2C1C(=O)C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations