Geometry & MOs

Info

ID:	399713
PubChem CID:	135041975
Reduced:	BrO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	312.07249
ΔH_f, kcal/mol:	-73.57
Dipole, Da:	1.86
IP(EA), eV:	-9.79(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,5S)-5-[(E,1S)-1-bromohex-3-enyl]-2-[(E)-pent-2-en-4-ynyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C[C@@]12C=CC(=O)C[C@@H]1O[C@H](O2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations