Geometry & MOs

Info

ID:	401099
PubChem CID:	135050114
Reduced:	BrO11C19H27 (1)
Stoich.:	AB11C19D27 (1)
Weight, g/mol:	434.0801
ΔH_f, kcal/mol:	-515.96
Dipole, Da:	3.22
IP(EA), eV:	-10.5(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3S,4R,6R)-5,5,6-triacetamido-4-acetyl-2-bromooxan-3-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations