Geometry & MOs

Info

ID:	311594
PubChem CID:	126595416
Reduced:	NO7C23H27 (1)
Stoich.:	AB7C23D27 (1)
Weight, g/mol:	414.167853
ΔH_f, kcal/mol:	-241.32
Dipole, Da:	5.25
IP(EA), eV:	-8.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5S,6R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethenylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CN=CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations