Geometry & MOs

Info

ID:	343978
PubChem CID:	127267154
Reduced:	SO3N5C14H17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	331.088972
ΔH_f, kcal/mol:	-18.84
Dipole, Da:	3.78
IP(EA), eV:	-9.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-6-[(1-methoxycyclobutyl)methylsulfonylamino]benzoate

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NNS(=O)(=O)C2=CN=NN2C3=CC=CC=C3

DOS

IR

Vibrations