Geometry & MOs

Info

ID:	63518
PubChem CID:	26758536
Reduced:	ClSN2O5C23H29 (1)
Stoich.:	ABC2D5E23F29 (1)
Weight, g/mol:	398.1278
ΔH_f, kcal/mol:	-163.88
Dipole, Da:	6.72
IP(EA), eV:	-8.67(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)/C=C/C2=CC(=C(C(=C2)Cl)OC)OCC

DOS

IR

Vibrations