Geometry & MOs

Info

ID:	63463
PubChem CID:	26758402
Reduced:	ClNF2O3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	353.063027
ΔH_f, kcal/mol:	-194.56
Dipole, Da:	3.96
IP(EA), eV:	-8.96(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)[C@@H](C)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations