Geometry & MOs

Info

ID:	63472
PubChem CID:	26758427
Reduced:	NO3F4H11C16 (1)
Stoich.:	AB3C4D11E16 (1)
Weight, g/mol:	400.98744
ΔH_f, kcal/mol:	-267.22
Dipole, Da:	3.69
IP(EA), eV:	-9.25(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations