Geometry & MOs

Info

ID:	51166
PubChem CID:	12013799
Reduced:	N2O3H30C31 (1)
Stoich.:	A2B3C30D31 (1)
Weight, g/mol:	562.01774
ΔH_f, kcal/mol:	-24.79
Dipole, Da:	5.09
IP(EA), eV:	-8.41(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-7,7-dibromo-1-trityloxyhept-6-ene-2,3,4-triol

Drug info:

PubChemData

Smile

CC(CNC1C(NC2=C(O1)C=CC(=C2O)C(=O)C3=CC=CC=C3)(C)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations