Geometry & MOs

Info

ID:	408024
PubChem CID:	135080779
Reduced:	BrNO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	212.045151
ΔH_f, kcal/mol:	-105.42
Dipole, Da:	4.88
IP(EA), eV:	-9.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-(chloromethyl)-2-(hydroxymethyl)oxane-2,3,4-triol

Drug info:

PubChemData

Smile

CC1CC(=O)N(C(=O)O1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations