Geometry & MOs

Info

ID:	171014
PubChem CID:	75311877
Reduced:	O5N8C21H26 (1)
Stoich.:	A5B8C21D26 (1)
Weight, g/mol:	561.91968
ΔH_f, kcal/mol:	-65.23
Dipole, Da:	4.29
IP(EA), eV:	-9.15(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4,5-dihydroxy-6-(hydroxymethyl)-3-iodooxan-2-yl]oxy-2-(hydroxymethyl)-5-iodooxane-3,4-diol

Drug info:

PubChemData

Smile

CNC(=O)N(CC#CC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)C(=O)NC4CC4)O)O)N)C5CC5

DOS

IR

Vibrations