Geometry & MOs

Info

ID:	88782
PubChem CID:	49956788
Reduced:	BrClN3O3C21H23 (1)
Stoich.:	ABC3D3E21F23 (1)
Weight, g/mol:	475.156577
ΔH_f, kcal/mol:	-87.82
Dipole, Da:	4.41
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C)OC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations