Geometry & MOs

Info

ID:	402985
PubChem CID:	135058156
Reduced:	Br2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	544.89419
ΔH_f, kcal/mol:	-49.08
Dipole, Da:	2.6
IP(EA), eV:	-9.57(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-2-bromo-1-(4-bromophenyl)-3-(trifluoromethylsulfonylamino)propyl] benzoate

Drug info:

PubChemData

Smile

C1[C@@](OCC12C[C@@](OC2)(CBr)C3=CC=CC=C3)(CBr)C4=CC=CC=C4

DOS

IR

Vibrations