Geometry & MOs

Info

ID:	232242
PubChem CID:	87575801
Reduced:	BrFeH13C18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	339.9033
ΔH_f, kcal/mol:	221.73
Dipole, Da:	5.51
IP(EA), eV:	-7.54(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2,3-dihydroxypropyl)-2-iodocyclopropane-1-sulfonyl chloride

Drug info:

PubChemData

Smile

[CH-]1[CH-][CH-][CH-][CH-]1.C1=C[C-](C=C1)C#CC2=CC(=CC=C2)Br.[Fe]

DOS

IR

Vibrations