Geometry & MOs

Info

ID:	64049
PubChem CID:	26759764
Reduced:	N2F3O6H13C19 (1)
Stoich.:	A2B3C6D13E19 (1)
Weight, g/mol:	348.056921
ΔH_f, kcal/mol:	-329.55
Dipole, Da:	4.48
IP(EA), eV:	-9.34(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(N1C(=O)COC(=O)C3=CC4=C(C=C3)OCO4)C=CC(=C2)C(F)(F)F

DOS

IR

Vibrations