Geometry & MOs

Info

ID:	222363
PubChem CID:	85297272
Reduced:	BrNO4C19H26 (1)
Stoich.:	ABC4D19E26 (1)
Weight, g/mol:	412.121691
ΔH_f, kcal/mol:	-178.77
Dipole, Da:	7.01
IP(EA), eV:	-9.93(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(4,5-dihydroxy-6-methoxy-2-methoxycarbonyloxan-3-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(COC(=O)C1CCCCBr)C2=CC=CC=C2

DOS

IR

Vibrations