Geometry & MOs

Info

ID:	226859
PubChem CID:	87558658
Reduced:	NBr3O4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	544.152119
ΔH_f, kcal/mol:	-41.15
Dipole, Da:	1.4
IP(EA), eV:	-9.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;ditetrafluoroborate

Drug info:

PubChemData

Smile

COC(=O)/C(=N/OC)/C1=CC=CC=C1COC2=C(C=C(C=C2)C=C(Br)Br)Br

DOS

IR

Vibrations