Geometry & MOs

Info

ID:	45730
PubChem CID:	10517147
Reduced:	N2O4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	284.125988
ΔH_f, kcal/mol:	-91.34
Dipole, Da:	2.06
IP(EA), eV:	-9.29(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R)-1-phenylethoxy]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=C2C(=C(C(=N1)C)C(=O)O)C3=CC=CC=C3N(C2=O)O

DOS

IR

Vibrations