Geometry & MOs

Info

ID:	63608
PubChem CID:	26758751
Reduced:	Cl2N3O3H17C24 (1)
Stoich.:	A2B3C3D17E24 (1)
Weight, g/mol:	486.101621
ΔH_f, kcal/mol:	-29.04
Dipole, Da:	7.46
IP(EA), eV:	-9.41(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

DOS

IR

Vibrations