Geometry & MOs

Info

ID:	50792
PubChem CID:	12013380
Reduced:	BrO7C11H13 (1)
Stoich.:	AB7C11D13 (1)
Weight, g/mol:	364.01577
ΔH_f, kcal/mol:	-251.86
Dipole, Da:	5.76
IP(EA), eV:	-10.74(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[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