Geometry & MOs

Info

ID:	49132
PubChem CID:	11528745
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	231.074071
ΔH_f, kcal/mol:	-40.79
Dipole, Da:	3.85
IP(EA), eV:	-8.76(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2,2-difluoro-5-methylhexane-1-sulfonic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C2CC=C(C2=C1)C#N)OC)OC

DOS

IR

Vibrations