Geometry & MOs

Info

ID:	63475
PubChem CID:	26758440
Reduced:	NO3F4H11C16 (1)
Stoich.:	AB3C4D11E16 (1)
Weight, g/mol:	349.112564
ΔH_f, kcal/mol:	-263.18
Dipole, Da:	3.6
IP(EA), eV:	-9.29(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC=C1F)F)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations