Geometry & MOs

Info

ID:	218076
PubChem CID:	85088824
Reduced:	BrSN3O8C11H14 (1)
Stoich.:	ABC3D8E11F14 (1)
Weight, g/mol:	433.082319
ΔH_f, kcal/mol:	-319.17
Dipole, Da:	6.68
IP(EA), eV:	-10.47(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydroacridine-1,9-dione

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1C2C(C3(C(O2)CO)C(=CS(=O)(=O)O3)N)O)Br

DOS

IR

Vibrations