Geometry & MOs

Info

ID:	397885
PubChem CID:	135030906
Reduced:	BrO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	396.00559
ΔH_f, kcal/mol:	-119.32
Dipole, Da:	2.57
IP(EA), eV:	-9.51(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C[C@@H]([C@H](O1)C2=CC=CO2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations