Geometry & MOs

Info

ID:	50793
PubChem CID:	12013381
Reduced:	BrO7C13H17 (1)
Stoich.:	AB7C13D17 (1)
Weight, g/mol:	390.03142
ΔH_f, kcal/mol:	-268.77
Dipole, Da:	6.29
IP(EA), eV:	-10.67(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,4'R,5S,5'R,6R)-1-bromo-4'-cyclopentyloxy-4,5'-dimethoxyspiro[3-oxabicyclo[3.1.0]hexane-6,3'-oxolane]-2,2'-dione

Drug info:

PubChemData

Smile

CC(C)O[C@H]1[C@@H](OC(=O)[C@@]12[C@@H]3[C@]2(C(=O)O[C@H]3OC)Br)OC

DOS

IR

Vibrations