Geometry & MOs

Info

ID:	26454
PubChem CID:	648980
Reduced:	FSO3N6C22H25 (1)
Stoich.:	ABC3D6E22F25 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	7.94
IP(EA), eV:	-9.51(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-(3-hydroxypyridin-2-yl)-1-(2-methylpropyl)-4-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)C(C3=CC=C(C=C3)F)N4CCC(CC4)C(=O)N

DOS

IR

Vibrations