Geometry & MOs

Info

ID:	404039
PubChem CID:	135064683
Reduced:	BrFN2O6C26H36 (1)
Stoich.:	ABC2D6E26F36 (1)
Weight, g/mol:	465.174057
ΔH_f, kcal/mol:	-319.1
Dipole, Da:	3.69
IP(EA), eV:	-9.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-chloro-9-[methyl-(4-methylphenyl)sulfonylamino]nonyl] benzoate

Drug info:

PubChemData

Smile

CCCC(=O)[C@]([C@@H](C1=CC=C(C=C1)Br)NC(=O)OC(CC)(CC)CC)(C(=O)N2C(=O)OCC2(C)C)F

DOS

IR

Vibrations