Geometry & MOs

Info

ID:	319883
PubChem CID:	126657464
Reduced:	BrNOC4H6 (1)
Stoich.:	ABCD4E6 (1)
Weight, g/mol:	311.158017
ΔH_f, kcal/mol:	-17.04
Dipole, Da:	2.71
IP(EA), eV:	-9.28(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-2-[(2S,3S,4R)-2-amino-3,4-dihydroxyhexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C=CNCC(=O)Br

DOS

IR

Vibrations