Geometry & MOs

Info

ID:	308371
PubChem CID:	125326618
Reduced:	ClSO3N5C20H24 (1)
Stoich.:	ABC3D5E20F24 (1)
Weight, g/mol:	366.093975
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	4.25
IP(EA), eV:	-8.49(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4H-imidazol-5-yl)ethyl]-4-oxo-6-(trifluoromethoxy)-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOC[C@@H]1NN=C(S1)NC(=O)[C@@H]2CC(=O)N(C2)CCC3=C4C=C(C=CC4=NC3)Cl

DOS

IR

Vibrations