Geometry & MOs

Info

ID:	39377
PubChem CID:	8140520
Reduced:	OF3N4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	396.139331
ΔH_f, kcal/mol:	-162.45
Dipole, Da:	8.75
IP(EA), eV:	-8.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-[(4-fluorophenyl)sulfonylamino]oxyacetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations