Geometry & MOs

Info

ID:	176420
PubChem CID:	76045949
Reduced:	BrClN2O2C17H20 (1)
Stoich.:	ABC2D2E17F20 (1)
Weight, g/mol:	299.136887
ΔH_f, kcal/mol:	-107.25
Dipole, Da:	3.8
IP(EA), eV:	-9.01(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CC(=O)NC3C2CC(CC3)Br)Cl

DOS

IR

Vibrations