Geometry & MOs

Info

ID:	62653
PubChem CID:	26732616
Reduced:	ClN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	294.046356
ΔH_f, kcal/mol:	-83.43
Dipole, Da:	5.19
IP(EA), eV:	-9.22(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] furan-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2Cl)/C#N

DOS

IR

Vibrations