Geometry & MOs

Info

ID:	63605
PubChem CID:	26758740
Reduced:	SN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	394.10842
ΔH_f, kcal/mol:	-183.72
Dipole, Da:	2.69
IP(EA), eV:	-8.62(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C(C)C)C(C)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C32

DOS

IR

Vibrations