Geometry & MOs

Info

ID:	46187
PubChem CID:	10522910
Reduced:	PO3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	366.188983
ΔH_f, kcal/mol:	-102.29
Dipole, Da:	4.79
IP(EA), eV:	-9.6(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2,6,7-trihydroxy-7-methyl-3-methylideneoctoxy]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C[C@@](C1=CC=CC=C1)([C@@H](CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O)O

DOS

IR

Vibrations