Geometry & MOs

Info

ID:	134228
PubChem CID:	51665422
Reduced:	BrFNOH19C26 (1)
Stoich.:	ABCDE19F26 (1)
Weight, g/mol:	451.184232
ΔH_f, kcal/mol:	10.3
Dipole, Da:	5.66
IP(EA), eV:	-8.97(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4S,5S,6R)-5-acetamido-3,4-diacetyloxy-6-(2,6-dimethylphenoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1[C@@H](CC(=O)C2=C1N(C(=C2)C3=CC=C(C=C3)Br)C4=CC(=CC=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations