Geometry & MOs

Info

ID:	1589
PubChem CID:	4738
Reduced:	S4C14O21H26 (1)
Stoich.:	A4B14C21D26 (1)
Weight, g/mol:	657.984943
ΔH_f, kcal/mol:	-864.42
Dipole, Da:	5.7
IP(EA), eV:	-10.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[(5-methoxy-3,4-disulfooxyoxan-2-yl)methoxymethyl]-3-sulfooxyoxan-4-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

COC1COC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC2COC(C(C2OS(=O)(=O)O)OS(=O)(=O)O)OC

DOS

IR

Vibrations