Geometry & MOs

Info

ID:	158789
PubChem CID:	56475049
Reduced:	SN3O3C23H23 (1)
Stoich.:	AB3C3D23E23 (1)
Weight, g/mol:	411.139448
ΔH_f, kcal/mol:	-53.29
Dipole, Da:	2.43
IP(EA), eV:	-8.25(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-difluoroanilino)-2-oxoethyl] 2-pyrrolidin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3N=C2N4CCCC4

DOS

IR

Vibrations