Geometry & MOs

Info

ID:	307533
PubChem CID:	125307389
Reduced:	BrON2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	418.147512
ΔH_f, kcal/mol:	106.89
Dipole, Da:	5.64
IP(EA), eV:	-8.49(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R,6S)-2-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)/C=[N+](/C3=CC=C(C=C3)Br)\[O-]

DOS

IR

Vibrations