Geometry & MOs

Info

ID:	327302
PubChem CID:	126689455
Reduced:	FSN3O6C21H24 (1)
Stoich.:	ABC3D6E21F24 (1)
Weight, g/mol:	220.039202
ΔH_f, kcal/mol:	-190.58
Dipole, Da:	4.59
IP(EA), eV:	-9.42(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-azido-2-methyl-2-methylsulfonylbutanoate

Drug info:

PubChemData

Smile

C[C@@](CCN1C=NC2=C(C1=O)C=C(C(=C2)C#C)F)(C(=O)NOC3CCCCO3)S(=O)(=O)C

DOS

IR

Vibrations