Geometry & MOs

Info

ID:	63212
PubChem CID:	26750149
Reduced:	BrN2F3O5H12C18 (1)
Stoich.:	AB2C3D5E12F18 (1)
Weight, g/mol:	397.97252
ΔH_f, kcal/mol:	-276.92
Dipole, Da:	3.85
IP(EA), eV:	-9.39(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(N1C(=O)COC(=O)/C=C/C3=CC=C(O3)Br)C=CC(=C2)C(F)(F)F

DOS

IR

Vibrations