Geometry & MOs

Info

ID:	63486
PubChem CID:	26758471
Reduced:	NF3O3H14C17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	397.01251
ΔH_f, kcal/mol:	-227.19
Dipole, Da:	4.22
IP(EA), eV:	-9.75(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations