Geometry & MOs

Info

ID:	63211
PubChem CID:	26750143
Reduced:	BrN2O5H15C18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	471.98817
ΔH_f, kcal/mol:	-125.32
Dipole, Da:	2.84
IP(EA), eV:	-8.98(-1.23)
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] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)/C=C/C3=CC=C(O3)Br

DOS

IR

Vibrations