Geometry & MOs

Info

ID:	158788
PubChem CID:	56475048
Reduced:	BrFN2O3C17H24 (1)
Stoich.:	ABC2D3E17F24 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	-185.86
Dipole, Da:	4.11
IP(EA), eV:	-9.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylsulfanylanilino)-2-oxoethyl] 2-pyrrolidin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1=C(C=CC(=C1)Br)F)C(=O)CN(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations