Geometry & MOs

Info

ID:	122647
PubChem CID:	50816187
Reduced:	ClSF2N2O3H17C22 (1)
Stoich.:	ABC2D2E3F17G22 (1)
Weight, g/mol:	409.179027
ΔH_f, kcal/mol:	-136.66
Dipole, Da:	4.74
IP(EA), eV:	-9.66(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetamidophenyl)-N-(3,4-dimethylphenyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1C(=O)N(C2=CC=CC=C2S(=O)(=O)N1CC3=C(C=CC=C3Cl)F)CC4=CC=C(C=C4)F

DOS

IR

Vibrations