Geometry & MOs

Info

ID:	82222
PubChem CID:	49855776
Reduced:	BN2O4C32H43 (1)
Stoich.:	AB2C4D32E43 (1)
Weight, g/mol:	284.125988
ΔH_f, kcal/mol:	-230.5
Dipole, Da:	7.8
IP(EA), eV:	-9.34(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol

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=CC=C4C)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations