Geometry & MOs

Info

ID:	63473
PubChem CID:	26758432
Reduced:	BrNF3O3H11C16 (1)
Stoich.:	ABC3D3E11F16 (1)
Weight, g/mol:	353.063027
ΔH_f, kcal/mol:	-217.99
Dipole, Da:	4.19
IP(EA), eV:	-9.12(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations