Geometry & MOs

Info

ID:	190576
PubChem CID:	78023327
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	634.3048
ΔH_f, kcal/mol:	81.82
Dipole, Da:	6.93
IP(EA), eV:	-9.15(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,2,4-trihydroxyhexoxy]-1-methoxyhexane-1,3,4-triol

Drug info:

PubChemData

Smile

C1CC2C(C(C(C1O2)N=[N+]=[N-])OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations