Geometry & MOs

Info

ID:	245048
PubChem CID:	99432251
Reduced:	SN4O4C25H26 (1)
Stoich.:	AB4C4D25E26 (1)
Weight, g/mol:	443.145676
ΔH_f, kcal/mol:	-81.96
Dipole, Da:	5.33
IP(EA), eV:	-8.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-pyrrolidin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC3=CC=CC=C3C=C2C(=O)OCC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

DOS

IR

Vibrations