Geometry & MOs

Info

ID:	185401
PubChem CID:	77296342
Reduced:	ClN3O8C15H18 (1)
Stoich.:	AB3C8D15E18 (1)
Weight, g/mol:	832.382263
ΔH_f, kcal/mol:	-339.89
Dipole, Da:	6.16
IP(EA), eV:	-9.46(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-tribenzyl-2-[3-benzyl-3,4,5-trihydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-4-yl]-6-(1-hydroxy-2-phenylethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(O1)N2C=C(C(=NC2=O)N)Cl)OC(=O)C)OC(=O)C

DOS

IR

Vibrations