Geometry & MOs

Info

ID:	63477
PubChem CID:	26758455
Reduced:	ClNO3F5H11C17 (1)
Stoich.:	ABC3D5E11F17 (1)
Weight, g/mol:	407.034762
ΔH_f, kcal/mol:	-341.77
Dipole, Da:	5.47
IP(EA), eV:	-9.41(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations