Geometry & MOs

Info

ID:	297633
PubChem CID:	117624461
Reduced:	NSH2O4F9C10 (1)
Stoich.:	ABC2D4E9F10 (1)
Weight, g/mol:	258.183109
ΔH_f, kcal/mol:	-590.71
Dipole, Da:	1.26
IP(EA), eV:	-11.09(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,7S)-2,7-di(propan-2-yl)octanedioic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(F)(F)F)OS(=O)(=O)N=C=O)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations