Geometry & MOs

Info

ID:	43240
PubChem CID:	10320047
Reduced:	ON3H9C12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	422.215197
ΔH_f, kcal/mol:	137.4
Dipole, Da:	4.28
IP(EA), eV:	-9.68(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-oct-1-en-3-yloxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1OC2=CC(=CC(=C2)C#N)C#N)OC3=NC=C(C=N3)C4=CC=CC=C4)C

DOS

IR

Vibrations