Geometry & MOs

Info

ID:	427038
PubChem CID:	135155164
Reduced:	SO2N3C19H31 (1)
Stoich.:	AB2C3D19E31 (1)
Weight, g/mol:	272.013028
ΔH_f, kcal/mol:	-74.58
Dipole, Da:	4.34
IP(EA), eV:	-7.51(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-5-(trifluoromethyl)phenyl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CS(=O)(=O)CCN1CCC(CC1)C2C=CC(=C(N2)C3=CCCCC3)N

DOS

IR

Vibrations