Geometry & MOs

Info

ID:	36270
PubChem CID:	7985314
Reduced:	F2N2O4H12C17 (1)
Stoich.:	A2B2C4D12E17 (1)
Weight, g/mol:	413.107479
ΔH_f, kcal/mol:	-186.95
Dipole, Da:	2.41
IP(EA), eV:	-9.46(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenoxyanilino)ethyl] 3-(difluoromethoxy)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)C2=CC(=CC=C2)OC(F)F

DOS

IR

Vibrations