Geometry & MOs

Info

ID:	324799
PubChem CID:	126678371
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	589.258184
ΔH_f, kcal/mol:	-31.41
Dipole, Da:	1.82
IP(EA), eV:	-9.19(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[6-(5-aminopentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

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C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)Br)CO

DOS

IR

Vibrations