Geometry & MOs

Info

ID:	141911
PubChem CID:	52951290
Reduced:	BrO4C7H9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	158.057909
ΔH_f, kcal/mol:	-152.4
Dipole, Da:	4.7
IP(EA), eV:	-9.88(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5R,6R)-3-methoxy-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol

Drug info:

PubChemData

Smile

COC1=CC(=O)[C@@H]([C@H]([C@H]1O)O)Br

DOS

IR

Vibrations