Geometry & MOs

Info

ID:	382719
PubChem CID:	134974038
Reduced:	Br2F6O6H12C13 (1)
Stoich.:	A2B6C6D12E13 (1)
Weight, g/mol:	272.00481
ΔH_f, kcal/mol:	-563.17
Dipole, Da:	6.0
IP(EA), eV:	-11.23(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,5R)-5-(4-bromophenyl)-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1CC2(C(=O)C(C1)(C(OC2(C(F)(F)F)O)(C(F)(F)F)O)Br)Br

DOS

IR

Vibrations