Geometry & MOs

Info

ID:	147889
PubChem CID:	53787548
Reduced:	BrClC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	347.121631
ΔH_f, kcal/mol:	13.03
Dipole, Da:	1.29
IP(EA), eV:	-9.37(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-[(2S,3R,4S,5R)-3,4,5-triacetyl-6-amino-3,4,5-trihydroxyoxan-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(CCC1=CC(=CC=C1)Br)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations