Geometry & MOs

Info

ID:	34139
PubChem CID:	7890028
Reduced:	N2O3F4H14C17 (1)
Stoich.:	A2B3C4D14E17 (1)
Weight, g/mol:	413.083014
ΔH_f, kcal/mol:	-282.8
Dipole, Da:	6.98
IP(EA), eV:	-9.08(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-fluorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)OCC(=O)NCC(=O)NC2=CC=C(C=C2)F

DOS

IR

Vibrations