Geometry & MOs

Info

ID:	63462
PubChem CID:	26758395
Reduced:	NO3F5H12C17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	353.063027
ΔH_f, kcal/mol:	-336.7
Dipole, Da:	1.05
IP(EA), eV:	-9.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations