Geometry & MOs

Info

ID:	63474
PubChem CID:	26758436
Reduced:	ClNF2O3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	341.067506
ΔH_f, kcal/mol:	-188.16
Dipole, Da:	5.47
IP(EA), eV:	-9.49(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations