Geometry & MOs

Info

ID:	63444
PubChem CID:	26758358
Reduced:	ClNF2O3H12C16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	339.047377
ΔH_f, kcal/mol:	-183.61
Dipole, Da:	2.53
IP(EA), eV:	-8.98(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations