Geometry & MOs

Info

ID:	218385
PubChem CID:	85089261
Reduced:	SN6O6C18H26 (1)
Stoich.:	AB6C6D18E26 (1)
Weight, g/mol:	454.241412
ΔH_f, kcal/mol:	-213.48
Dipole, Da:	5.79
IP(EA), eV:	-8.77(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(CCSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)NC(=O)C

DOS

IR

Vibrations