Geometry & MOs

Info

ID:	64048
PubChem CID:	26759763
Reduced:	N2F3O6H15C20 (1)
Stoich.:	A2B3C6D15E20 (1)
Weight, g/mol:	422.072571
ΔH_f, kcal/mol:	-338.6
Dipole, Da:	3.14
IP(EA), eV:	-9.33(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)OC(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations