Geometry & MOs

Info

ID:	9382
PubChem CID:	88785
Reduced:	BrO9C13H17 (1)
Stoich.:	AB9C13D17 (1)
Weight, g/mol:	396.00559
ΔH_f, kcal/mol:	-394.93
Dipole, Da:	3.25
IP(EA), eV:	-10.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations