Geometry & MOs

Info

ID:	442058
PubChem CID:	135248765
Reduced:	SN2F3O4C23H35 (1)
Stoich.:	AB2C3D4E23F35 (1)
Weight, g/mol:	307.068985
ΔH_f, kcal/mol:	-362.95
Dipole, Da:	5.32
IP(EA), eV:	-9.37(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(butylsulfonylamino)-2,6-difluorobenzoate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)C(F)(F)F)C(C)C

DOS

IR

Vibrations