Geometry & MOs

Info

ID:	138662
PubChem CID:	52403054
Reduced:	NOF7C18H24 (1)
Stoich.:	ABC7D18E24 (1)
Weight, g/mol:	358.045727
ΔH_f, kcal/mol:	-389.68
Dipole, Da:	4.03
IP(EA), eV:	-9.18(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4-fluorophenyl)methylsulfonylamino]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=C)C[C@@H]1CC=C[C@H]([NH+]1C[C@@H](C(C(C(F)(F)F)(F)F)(F)F)[O-])CC(=C)C

DOS

IR

Vibrations