Geometry & MOs

Info

ID:	435696
PubChem CID:	135192181
Reduced:	N5O7H13C25 (1)
Stoich.:	A5B7C13D25 (1)
Weight, g/mol:	498.084811
ΔH_f, kcal/mol:	20.92
Dipole, Da:	4.21
IP(EA), eV:	-9.41(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](OC2=CC=CC(=C21)C#N)C3=CC(=C(C(=C3)O)N=O)N=O)OC(=O)C4=CC(=C(C(=C4)O)C#N)C#N

DOS

IR

Vibrations