Geometry & MOs

Info

ID:	410204
PubChem CID:	135082995
Reduced:	SN4O5H16C20 (1)
Stoich.:	AB4C5D16E20 (1)
Weight, g/mol:	527.04537
ΔH_f, kcal/mol:	-73.44
Dipole, Da:	6.5
IP(EA), eV:	-9.05(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2'S,5'S)-2',5'-dibenzyl-2-bromospiro[4H-1,3,2-benzoxazaborinin-3-ium-3,1'-azolidin-1-ium];bromide

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=N\NC2=CC(=C(C3=CC=CC=C32)S(=O)(=O)O)O)C4=CC=CC=C4

DOS

IR

Vibrations