Geometry & MOs

Info

ID:	382751
PubChem CID:	134974077
Reduced:	SN2O2F9C13H15 (1)
Stoich.:	AB2C2D9E13F15 (1)
Weight, g/mol:	273.041787
ΔH_f, kcal/mol:	-515.69
Dipole, Da:	7.13
IP(EA), eV:	-8.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(2S,5S,7S)-2-(carboxymethyl)-3,8-dioxo-1,4,6-trioxa-5-boranuidaspiro[4.4]nonan-7-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCN2CCCN(C2=CC1)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations