Geometry & MOs

Info

ID:	63816
PubChem CID:	26759249
Reduced:	ClN2S2O3H11C15 (1)
Stoich.:	AB2C2D3E11F15 (1)
Weight, g/mol:	406.114042
ΔH_f, kcal/mol:	-0.71
Dipole, Da:	3.16
IP(EA), eV:	-8.93(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)Cl)C(=O)OCC2=NC(=NO2)C3=CSC=C3

DOS

IR

Vibrations