Geometry & MOs

Info

ID:	192756
PubChem CID:	78308737
Reduced:	ClSN2F3O4C27H32 (1)
Stoich.:	ABC2D3E4F27G32 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-317.17
Dipole, Da:	9.27
IP(EA), eV:	-9.48(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-ethoxy-2-oxo-3H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCN(CC2CC3CC(CCC3NC2=O)OC)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations