Geometry & MOs

Info

ID:	138181
PubChem CID:	52324957
Reduced:	SCl2N3O4H17C22 (1)
Stoich.:	AB2C3D4E17F22 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	6.11
IP(EA), eV:	-9.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethoxy-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CO/C(=C\1/[C@H]([C@@H](C(=NC1=O)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=C(C=C3)Cl)/O

DOS

IR

Vibrations