Geometry & MOs

Info

ID:	177118
PubChem CID:	76137049
Reduced:	N2O8C45H50 (1)
Stoich.:	A2B8C45D50 (1)
Weight, g/mol:	358.093368
ΔH_f, kcal/mol:	-274.91
Dipole, Da:	6.99
IP(EA), eV:	-9.13(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(sulfanylmethyl)oxan-2-yl]oxyoxane-2,3,4-triol

Drug info:

PubChemData

Smile

CC12CCC(C=C1CCC3C2CCC4(C3(CCC4OCC(CN5C(=O)C6=CC=CC=C6C5=O)C7=COC=C7)O)C)OCCCN8C(=O)C9=CC=CC=C9C8=O

DOS

IR

Vibrations