Geometry & MOs

Info

ID:	63380
PubChem CID:	26758211
Reduced:	BrFN2O5H14C19 (1)
Stoich.:	ABC2D5E14F19 (1)
Weight, g/mol:	448.00701
ΔH_f, kcal/mol:	-188.13
Dipole, Da:	7.44
IP(EA), eV:	-9.11(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations