Geometry & MOs

Info

ID:	336917
PubChem CID:	127255924
Reduced:	NSO8C29H33 (1)
Stoich.:	ABC8D29E33 (1)
Weight, g/mol:	491.230788
ΔH_f, kcal/mol:	-281.12
Dipole, Da:	9.8
IP(EA), eV:	-9.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R,4R,5S,6R)-4-hydroxy-2,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OCC3=CC=CC=C3)NC(=O)C)OCC4=CC=CC=C4)O

DOS

IR

Vibrations