Geometry & MOs

Info

ID:	82388
PubChem CID:	49855970
Reduced:	BFN3O4C30H39 (1)
Stoich.:	ABC3D4E30F39 (1)
Weight, g/mol:	569.96951
ΔH_f, kcal/mol:	-259.5
Dipole, Da:	8.63
IP(EA), eV:	-9.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(4-bromo-3,5-dichlorophenoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)CC(C4=CC=C(C=C4)F)NC(=O)C5=CN=CC=C5

DOS

IR

Vibrations