Geometry & MOs

Info

ID:	223584
PubChem CID:	85335275
Reduced:	ClSN3O3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	446.294471
ΔH_f, kcal/mol:	-82.94
Dipole, Da:	5.81
IP(EA), eV:	-8.86(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-6,9a,11a-trimethyl-N-(oxan-2-ylmethyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)CNC(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations