Geometry & MOs

Info

ID:	189572
PubChem CID:	77875475
Reduced:	N5O7C23H29 (1)
Stoich.:	A5B7C23D29 (1)
Weight, g/mol:	464.219889
ΔH_f, kcal/mol:	-235.51
Dipole, Da:	3.31
IP(EA), eV:	-8.77(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibenzyl-2-(1-hydroxy-2-phenylethyl)-6-methoxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1CN(CCN1CC(CN2C(=O)C3CC=CCC3C2=O)O)C4=NC=CC=N4.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations