Geometry & MOs

Info

ID:	135809
PubChem CID:	51939338
Reduced:	SN2F4O5H12C15 (1)
Stoich.:	AB2C4D5E12F15 (1)
Weight, g/mol:	393.09396
ΔH_f, kcal/mol:	-289.45
Dipole, Da:	7.57
IP(EA), eV:	-10.03(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-bromophenoxy)-3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@@H](CNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])O)F

DOS

IR

Vibrations