Geometry & MOs

Info

ID:	219691
PubChem CID:	85164531
Reduced:	NSO10C27H29 (1)
Stoich.:	ABC10D27E29 (1)
Weight, g/mol:	560.00938
ΔH_f, kcal/mol:	-370.92
Dipole, Da:	7.44
IP(EA), eV:	-8.69(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;[6-[4,5-dihydroxy-6-methoxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl sulfate

Drug info:

PubChemData

Smile

CC1(OC2C(O1)C(OC2C(=O)OC)C3(CC(=O)N(C3=O)CC4=CC=C(C=C4)OC)S(=O)(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations